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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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).