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

C22H18N4OS — CID 2307712

IUPAC2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1Nc1nc(-c2ccccc2)c(C(=O)Nc2cccnc2)s1
InChIInChI=1S/C22H18N4OS/c1-15-8-5-6-12-18(15)25-22-26-19(16-9-3-2-4-10-16)20(28-22)21(27)24-17-11-7-13-23-14-17/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyUMDYWJMXLQFIAV-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.51
Rot. Bonds5

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

2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 2307712) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID2307712
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1Nc1nc(-c2ccccc2)c(C(=O)Nc2cccnc2)s1
InChIInChI=1S/C22H18N4OS/c1-15-8-5-6-12-18(15)25-22-26-19(16-9-3-2-4-10-16)20(28-22)21(27)24-17-11-7-13-23-14-17/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyUMDYWJMXLQFIAV-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 2307712) is 2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1ccccc1Nc1nc(-c2ccccc2)c(C(=O)Nc2cccnc2)s1.
What is the InChIKey of 2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UMDYWJMXLQFIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-15-8-5-6-12-18(15)25-22-26-19(16-9-3-2-4-10-16)20(28-22)21(27)24-17-11-7-13-23-14-17/h2-14H,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
2-(2-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-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2307712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).