N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C24H26N4O2S — CID 55920129

IUPACN-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H26N4O2S/c1-16-21(31-23(26-16)20-10-6-7-15-25-20)22(29)27-18-13-11-17(12-14-18)24(30)28(2)19-8-4-3-5-9-19/h6-7,10-15,19H,3-5,8-9H2,1-2H3,(H,27,29)
InChIKeyZUQDGSMJUIGJPE-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.17
Rot. Bonds5

About N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55920129) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55920129
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H26N4O2S/c1-16-21(31-23(26-16)20-10-6-7-15-25-20)22(29)27-18-13-11-17(12-14-18)24(30)28(2)19-8-4-3-5-9-19/h6-7,10-15,19H,3-5,8-9H2,1-2H3,(H,27,29)
InChIKeyZUQDGSMJUIGJPE-UHFFFAOYSA-N
XLogP5.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71934858
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134060937
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55406198
N-(2-tert-butylcyclohexyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55583530
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78890221
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816277

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55920129) is N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZUQDGSMJUIGJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16-21(31-23(26-16)20-10-6-7-15-25-20)22(29)27-18-13-11-17(12-14-18)24(30)28(2)19-8-4-3-5-9-19/h6-7,10-15,19H,3-5,8-9H2,1-2H3,(H,27,29).
What are the key properties of N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55920129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).