N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C20H20ClN5OS — CID 118384086

IUPACN-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(C2CCCC(c3ccc(Cl)nn3)C2)s1
InChIInChI=1S/C20H20ClN5OS/c21-17-10-9-16(23-24-17)14-7-4-8-15(12-14)19-25-26-20(28-19)22-18(27)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14-15H,4,7-8,11-12H2,(H,22,26,27)
InChIKeyDHSQJSDLIYFMGB-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.60
Rot. Bonds5

About N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 118384086) has the molecular formula C20H20ClN5OS and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID118384086
Molecular FormulaC20H20ClN5OS
Molecular Weight413.93 g/mol
Exact Mass413.11
IUPAC NameN-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(C2CCCC(c3ccc(Cl)nn3)C2)s1
InChIInChI=1S/C20H20ClN5OS/c21-17-10-9-16(23-24-17)14-7-4-8-15(12-14)19-25-26-20(28-19)22-18(27)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14-15H,4,7-8,11-12H2,(H,22,26,27)
InChIKeyDHSQJSDLIYFMGB-UHFFFAOYSA-N
XLogP4.60
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-N-[5-[3-[5-[[2-(3-chlorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123847431
2-pyridin-4-yl-N-[5-[3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123473896
2-(4-ethylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-ethylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118444073
2-[4-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123984378
2-[3-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[3-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123890028
2-phenyl-N-[5-[(3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 162572561
2-(2-aminophenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-aminophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163237
2-(3-cyanophenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-cyanophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165642
2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163298
2-(2-nitrophenyl)-N-[5-[(1S,3S)-3-[5-[[2-(2-nitrophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163241
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837
2-(3-piperidin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163405

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 118384086) is N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nnc(C2CCCC(c3ccc(Cl)nn3)C2)s1.
What is the InChIKey of N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is DHSQJSDLIYFMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS/c21-17-10-9-16(23-24-17)14-7-4-8-15(12-14)19-25-26-20(28-19)22-18(27)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14-15H,4,7-8,11-12H2,(H,22,26,27).
What are the key properties of N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 413.93 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(6-chloropyridazin-3-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 118384086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).