1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide

C23H26N4OS — CID 59789377

IUPAC1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCCCC2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C23H26N4OS/c1-16-8-9-18(25-21(28)23(2)10-4-3-5-11-23)13-19(16)26-22-27-20(15-29-22)17-7-6-12-24-14-17/h6-9,12-15H,3-5,10-11H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyLPQVLIARVYYSMD-UHFFFAOYSA-N
MW406.56 g/mol
LogP6.17
Rot. Bonds5

About 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide

1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide (PubChem CID 59789377) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide
PubChem CID59789377
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCCCC2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C23H26N4OS/c1-16-8-9-18(25-21(28)23(2)10-4-3-5-11-23)13-19(16)26-22-27-20(15-29-22)17-7-6-12-24-14-17/h6-9,12-15H,3-5,10-11H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyLPQVLIARVYYSMD-UHFFFAOYSA-N
XLogP6.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-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

1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
CID 57473566
CID 89305752
CID 89305752
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
(Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide
CID 153245059
N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
CID 10478636
1,3-benzodioxol-5-yl N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]carbamate
CID 87797394
ethane;4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 144702954
1-(2-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea;1-(2-fluorophenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 158018079
4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662707
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide (CID 59789377) is 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2(C)CCCCC2)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide?
The InChIKey is LPQVLIARVYYSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-16-8-9-18(25-21(28)23(2)10-4-3-5-11-23)13-19(16)26-22-27-20(15-29-22)17-7-6-12-24-14-17/h6-9,12-15H,3-5,10-11H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide?
1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59789377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).