N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide

C23H25N5O2S — CID 135354009

IUPACN-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(C(=O)NC4CCNCC4)c3)s2)c1
InChIInChI=1S/C23H25N5O2S/c1-15-4-2-6-18(12-15)27-22(30)20-14-25-23(31-20)28-19-7-3-5-16(13-19)21(29)26-17-8-10-24-11-9-17/h2-7,12-14,17,24H,8-11H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyWTICVSZCRICEHH-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.93
Rot. Bonds6

About N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide

N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 135354009) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID135354009
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(C(=O)NC4CCNCC4)c3)s2)c1
InChIInChI=1S/C23H25N5O2S/c1-15-4-2-6-18(12-15)27-22(30)20-14-25-23(31-20)28-19-7-3-5-16(13-19)21(29)26-17-8-10-24-11-9-17/h2-7,12-14,17,24H,8-11H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyWTICVSZCRICEHH-UHFFFAOYSA-N
XLogP3.93
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(cycloheptylcarbamoyl)phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46329827
N-(2-chloro-6-methylphenyl)-2-[3-[[(3S,4R)-3-fluoropiperidin-4-yl]carbamoyl]anilino]-1,3-thiazole-5-carboxamide
CID 135354024
N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
CID 87278841
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-[3-(cyclopentylcarbamoyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 46329982
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
CID 119386927

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide (CID 135354009) is N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3cccc(C(=O)NC4CCNCC4)c3)s2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is WTICVSZCRICEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15-4-2-6-18(12-15)27-22(30)20-14-25-23(31-20)28-19-7-3-5-16(13-19)21(29)26-17-8-10-24-11-9-17/h2-7,12-14,17,24H,8-11H2,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide?
N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135354009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).