2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C22H18N4OS — CID 1180624

IUPAC2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c1
InChIInChI=1S/C22H18N4OS/c1-15-7-5-10-17(13-15)25-22-26-19(16-8-3-2-4-9-16)20(28-22)21(27)24-18-11-6-12-23-14-18/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyIHRKPLHOARWQRE-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.51
Rot. Bonds5

About 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 1180624) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID1180624
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c1
InChIInChI=1S/C22H18N4OS/c1-15-7-5-10-17(13-15)25-22-26-19(16-8-3-2-4-9-16)20(28-22)21(27)24-18-11-6-12-23-14-18/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyIHRKPLHOARWQRE-UHFFFAOYSA-N
XLogP5.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
6-cyclopropyl-N-(2-pyridin-2-yl-1,3-thiazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
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5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
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CID 135567105
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CID 164829060
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
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CID 54581340

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 1180624) is 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1cccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c1.
What is the InChIKey of 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IHRKPLHOARWQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-15-7-5-10-17(13-15)25-22-26-19(16-8-3-2-4-9-16)20(28-22)21(27)24-18-11-6-12-23-14-18/h2-14H,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1180624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).