2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

C15H14N4O2S — CID 18152667

IUPAC2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccn(C)n3)cs2)cc1
InChIInChI=1S/C15H14N4O2S/c1-19-8-7-13(18-19)17-14(20)12-9-22-15(16-12)10-3-5-11(21-2)6-4-10/h3-9H,1-2H3,(H,17,18,20)
InChIKeyRSDOZRGDHGQXTO-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 18152667) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID18152667
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccn(C)n3)cs2)cc1
InChIInChI=1S/C15H14N4O2S/c1-19-8-7-13(18-19)17-14(20)12-9-22-15(16-12)10-3-5-11(21-2)6-4-10/h3-9H,1-2H3,(H,17,18,20)
InChIKeyRSDOZRGDHGQXTO-UHFFFAOYSA-N
XLogP2.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36749788
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 102433006
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
N-(2,5-dimethyl-4-pyridinyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 167821309
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 18152667) is 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccn(C)n3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RSDOZRGDHGQXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-19-8-7-13(18-19)17-14(20)12-9-22-15(16-12)10-3-5-11(21-2)6-4-10/h3-9H,1-2H3,(H,17,18,20).
What are the key properties of 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18152667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).