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

C85H100N10O8S2 — CID 162157018

IUPAC2-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
SMILESNC(=O)c1[nH]c(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1cn(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCCC2)nc1-c1ccc(Oc2ccccc2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H22N2O2S.2C21H21N3O2.C21H20N2O2S.8H2/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(25)19-18(23-21(24-19)15-6-4-5-7-15)14-10-12-17(13-11-14)26-16-8-2-1-3-9-16;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,(H2,22,25)(H,23,24);1-3,8-13,15H,4-7H2,(H2,22,24);8*1H
InChIKeyZLYQSVMWVIYZHA-UHFFFAOYSA-N
MW1453.93 g/mol
LogP22.26
Rot. Bonds20

About 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

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 (PubChem CID 162157018) has the molecular formula C85H100N10O8S2 and a molecular weight of 1453.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162157018
Molecular FormulaC85H100N10O8S2
Molecular Weight1453.93 g/mol
Exact Mass1452.72
IUPAC Name2-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
SMILESNC(=O)c1[nH]c(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1cn(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCCC2)nc1-c1ccc(Oc2ccccc2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H22N2O2S.2C21H21N3O2.C21H20N2O2S.8H2/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(25)19-18(23-21(24-19)15-6-4-5-7-15)14-10-12-17(13-11-14)26-16-8-2-1-3-9-16;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,(H2,22,25)(H,23,24);1-3,8-13,15H,4-7H2,(H2,22,24);8*1H
InChIKeyZLYQSVMWVIYZHA-UHFFFAOYSA-N
XLogP22.26
TPSA281.56 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.93
LogP ≤ 522.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
2-(7-but-2-ynoyl-7-azaspiro[3.5]nonan-2-yl)-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;3-(4-phenoxyphenyl)-1-(7-prop-2-enoyl-7-azaspiro[3.5]nonan-2-yl)pyrazole-4-carboxamide;3-(4-phenoxyphenyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)pyrazole-4-carboxamide
CID 158389910
1-[(1-but-2-ynoylpiperidin-3-yl)methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[(3R)-1-prop-2-enoylpiperidin-3-yl]-1H-imidazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpiperidin-3-yl)methyl]pyrazole-4-carboxamide;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 158669336
1-[(1-but-2-ynoylpiperidin-3-yl)methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;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]-1H-imidazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 158979854
2-(7-but-2-ynoyl-7-azaspiro[3.5]nonan-2-yl)-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;2-(7-but-2-ynoyl-7-azaspiro[3.5]nonan-2-yl)-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-(7-prop-2-enoyl-7-azaspiro[3.5]nonan-2-yl)pyrazole-4-carboxamide
CID 159113940
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-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
2-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(3R)-1-but-2-ynoylpiperidin-3-yl]-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;3-[4-[(3-methylphenyl)carbamoylamino]phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 161912974
1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole
CID 165019034

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 162157018) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)c1[nH]c(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1cn(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1sc(C2CCCCC2)nc1-c1ccc(Oc2ccccc2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is ZLYQSVMWVIYZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S.2C21H21N3O2.C21H20N2O2S.8H2/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(25)19-18(23-21(24-19)15-6-4-5-7-15)14-10-12-17(13-11-14)26-16-8-2-1-3-9-16;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,(H2,22,25)(H,23,24);1-3,8-13,15H,4-7H2,(H2,22,24);8*1H.
What are the key properties of 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?
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 has a molecular weight of 1453.93 g/mol, XLogP of 22.26, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162157018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).