2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

C64H63N7O6S2 — CID 161196883

IUPAC2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cn(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCCC2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N2O2S.C21H21N3O2.C21H20N2O2S/c23-21(25)20-19(24-22(27-20)16-7-3-1-4-8-16)15-11-13-18(14-12-15)26-17-9-5-2-6-10-17;22-21(25)19-14-24(16-6-4-5-7-16)23-20(19)15-10-12-18(13-11-15)26-17-8-2-1-3-9-17;22-20(24)19-18(23-21(26-19)15-6-4-5-7-15)14-10-12-17(13-11-14)25-16-8-2-1-3-9-16/h2,5-6,9-14,16H,1,3-4,7-8H2,(H2,23,25);1-3,8-14,16H,4-7H2,(H2,22,25);1-3,8-13,15H,4-7H2,(H2,22,24)
InChIKeyUULQWVWLFUSWDM-UHFFFAOYSA-N
MW1090.39 g/mol
LogP15.66
Rot. Bonds15

About 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 161196883) has the molecular formula C64H63N7O6S2 and a molecular weight of 1090.39 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID161196883
Molecular FormulaC64H63N7O6S2
Molecular Weight1090.39 g/mol
Exact Mass1089.43
IUPAC Name2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cn(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCCC2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N2O2S.C21H21N3O2.C21H20N2O2S/c23-21(25)20-19(24-22(27-20)16-7-3-1-4-8-16)15-11-13-18(14-12-15)26-17-9-5-2-6-10-17;22-21(25)19-14-24(16-6-4-5-7-16)23-20(19)15-10-12-18(13-11-15)26-17-8-2-1-3-9-17;22-20(24)19-18(23-21(26-19)15-6-4-5-7-15)14-10-12-17(13-11-14)25-16-8-2-1-3-9-16/h2,5-6,9-14,16H,1,3-4,7-8H2,(H2,23,25);1-3,8-14,16H,4-7H2,(H2,22,25);1-3,8-13,15H,4-7H2,(H2,22,24)
InChIKeyUULQWVWLFUSWDM-UHFFFAOYSA-N
XLogP15.66
TPSA200.56 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001090.39
LogP ≤ 515.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 66855233
2-cyclopentyl-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;molecular hydrogen
CID 157624638
2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;molecular hydrogen
CID 157788565
5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 158269454
Bis(5-amino-3-(4-phenoxyphenyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)pyrazole-4-carboxamide);4-(4-phenoxyphenyl)-2-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)-1,3-thiazole-5-carboxamide
CID 158611567
2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 159390162
5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
CID 159479733
2-(2-But-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-(1-but-2-ynoylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide
CID 159959058
5-Amino-3-(4-phenoxyphenyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)pyrazole-4-carboxamide;2-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)-1,3-thiazole-5-carboxamide
CID 160017944
1-(1-But-2-ynoylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-4-yl)pyrazole-4-carboxamide
CID 160129631
Ethyl 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylate;2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carbothioamide
CID 160404032
1-[(1-but-2-ynoylpiperidin-4-yl)methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[(3R)-1-prop-2-enoylpiperidin-3-yl]-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 161104578

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (CID 161196883) is 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1cn(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCCC2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UULQWVWLFUSWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S.C21H21N3O2.C21H20N2O2S/c23-21(25)20-19(24-22(27-20)16-7-3-1-4-8-16)15-11-13-18(14-12-15)26-17-9-5-2-6-10-17;22-21(25)19-14-24(16-6-4-5-7-16)23-20(19)15-10-12-18(13-11-15)26-17-8-2-1-3-9-17;22-20(24)19-18(23-21(26-19)15-6-4-5-7-15)14-10-12-17(13-11-14)25-16-8-2-1-3-9-16/h2,5-6,9-14,16H,1,3-4,7-8H2,(H2,23,25);1-3,8-14,16H,4-7H2,(H2,22,25);1-3,8-13,15H,4-7H2,(H2,22,24).
What are the key properties of 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 1090.39 g/mol, XLogP of 15.66, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161196883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).