bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)

C180H208N40O20S8 — CID 163551655

IUPACbis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)
SMILESCO[C@@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.COc1cccc([C@@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1
InChIInChI=1S/4C23H27N5O3S.4C22H25N5O2S/c4*1-30-18-6-3-5-17(14-18)21(31-2)22(29)25-23-28-27-20(32-23)13-15-8-10-16(11-9-15)19-7-4-12-24-26-19;4*1-29-20(17-6-3-2-4-7-17)21(28)24-22-27-26-19(30-22)14-15-9-11-16(12-10-15)18-8-5-13-23-25-18/h4*3-7,12,14-16,21H,8-11,13H2,1-2H3,(H,25,28,29);4*2-8,13,15-16,20H,9-12,14H2,1H3,(H,24,27,28)/t4*15?,16?,21-;4*15?,16?,20-/m11001100/s1
InChIKeyFJOMVSVDCIOCIH-QOPLWDPLSA-N
MW3508.44 g/mol
LogP33.40
Rot. Bonds60

About bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)

bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide) (PubChem CID 163551655) has the molecular formula C180H208N40O20S8 and a molecular weight of 3508.44 g/mol. Its IUPAC name is bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide).

Molecular Properties

Compound Namebis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)
PubChem CID163551655
Molecular FormulaC180H208N40O20S8
Molecular Weight3508.44 g/mol
Exact Mass3505.43
IUPAC Namebis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)
SMILESCO[C@@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.COc1cccc([C@@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1
InChIInChI=1S/4C23H27N5O3S.4C22H25N5O2S/c4*1-30-18-6-3-5-17(14-18)21(31-2)22(29)25-23-28-27-20(32-23)13-15-8-10-16(11-9-15)19-7-4-12-24-26-19;4*1-29-20(17-6-3-2-4-7-17)21(28)24-22-27-26-19(30-22)14-15-9-11-16(12-10-15)18-8-5-13-23-25-18/h4*3-7,12,14-16,21H,8-11,13H2,1-2H3,(H,25,28,29);4*2-8,13,15-16,20H,9-12,14H2,1H3,(H,24,27,28)/t4*15?,16?,21-;4*15?,16?,20-/m11001100/s1
InChIKeyFJOMVSVDCIOCIH-QOPLWDPLSA-N
XLogP33.40
TPSA756.04 Ų
H-Bond Donors8
H-Bond Acceptors60
Rotatable Bonds60
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003508.44
LogP ≤ 533.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1060

Analyze bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide) with MolForge

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Related Compounds

1-methoxy-1-phenyl-3-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]propan-2-one
CID 163920790
hexakis((2R)-2-methoxy-2-(3-methylphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide);hexakis((2S)-2-methoxy-2-(3-methylphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide)
CID 163866608
2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 166957535
(2S)-2-(4-fluoro-3-methylphenyl)-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 163714855
(2R)-2-methoxy-N-[5-[4-[5-[(2-methoxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 134302619
2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]oxy-1,3,4-thiadiazol-2-yl]acetamide;ethane;molecular hydrogen
CID 172589644
(2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 126610945
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 159689976
(2S)-2-ethoxy-2-phenyl-N-[5-[[(3S)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 148943418
2-(3,5-dimethoxyphenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 154584195
(2S)-2-ethoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 118554530
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-(1,2,4-triazin-6-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 130203440

Frequently Asked Questions

What is the IUPAC name of bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)?
The IUPAC name of bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide) (CID 163551655) is bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide).
What is the SMILES notation for bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)?
The canonical SMILES for bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide) is CO[C@@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.CO[C@H](C(=O)Nc1nnc(CC2CCC(c3cccnn3)CC2)s1)c1ccccc1.COc1cccc([C@@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.COc1cccc([C@H](OC)C(=O)Nc2nnc(CC3CCC(c4cccnn4)CC3)s2)c1.
What is the InChIKey of bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)?
The InChIKey is FJOMVSVDCIOCIH-QOPLWDPLSA-N. The full InChI is InChI=1S/4C23H27N5O3S.4C22H25N5O2S/c4*1-30-18-6-3-5-17(14-18)21(31-2)22(29)25-23-28-27-20(32-23)13-15-8-10-16(11-9-15)19-7-4-12-24-26-19;4*1-29-20(17-6-3-2-4-7-17)21(28)24-22-27-26-19(30-22)14-15-9-11-16(12-10-15)18-8-5-13-23-25-18/h4*3-7,12,14-16,21H,8-11,13H2,1-2H3,(H,25,28,29);4*2-8,13,15-16,20H,9-12,14H2,1H3,(H,24,27,28)/t4*15?,16?,21-;4*15?,16?,20-/m11001100/s1.
What are the key properties of bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)?
bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide) has a molecular weight of 3508.44 g/mol, XLogP of 33.40, 60 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide) is sourced from PubChem (CID 163551655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).