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

C22H18N4O2S — CID 2307725

IUPAC2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)cc1
InChIInChI=1S/C22H18N4O2S/c1-28-18-11-9-16(10-12-18)25-22-26-19(15-6-3-2-4-7-15)20(29-22)21(27)24-17-8-5-13-23-14-17/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyWOEFNIXTOKOZJE-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.21
Rot. Bonds6

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

2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 2307725) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID2307725
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)cc1
InChIInChI=1S/C22H18N4O2S/c1-28-18-11-9-16(10-12-18)25-22-26-19(15-6-3-2-4-7-15)20(29-22)21(27)24-17-8-5-13-23-14-17/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyWOEFNIXTOKOZJE-UHFFFAOYSA-N
XLogP5.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
US10251893, Cpd 6
CID 46926811
5-(4-Methoxyphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585406
N-[4-(chlorodifluoromethoxy)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644841
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
3,5-dimethoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 2660457
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-methoxyphenyl)methanone
CID 18521811
5-(4-Methoxyphenyl)-13-(prop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 23634326

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 2307725) is 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is COc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WOEFNIXTOKOZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-28-18-11-9-16(10-12-18)25-22-26-19(15-6-3-2-4-7-15)20(29-22)21(27)24-17-8-5-13-23-14-17/h2-14H,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2307725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).