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

C23H25N5O2S — CID 135354009

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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