2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C21H19N5O2S — CID 25332321

IUPAC2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCc3ccc(-n4cccn4)nc3)s2)cc1
InChIInChI=1S/C21H19N5O2S/c1-14-19(29-21(25-14)16-5-7-17(28-2)8-6-16)20(27)23-13-15-4-9-18(22-12-15)26-11-3-10-24-26/h3-12H,13H2,1-2H3,(H,23,27)
InChIKeyLIONGJHOUDDGJT-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 25332321) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID25332321
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCc3ccc(-n4cccn4)nc3)s2)cc1
InChIInChI=1S/C21H19N5O2S/c1-14-19(29-21(25-14)16-5-7-17(28-2)8-6-16)20(27)23-13-15-4-9-18(22-12-15)26-11-3-10-24-26/h3-12H,13H2,1-2H3,(H,23,27)
InChIKeyLIONGJHOUDDGJT-UHFFFAOYSA-N
XLogP3.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 55711424
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16602270
2-(4-methoxyphenyl)-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24550651
3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 51131145
2,5-dichloro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 51112319
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide
CID 25337635
2-(4-methoxyphenyl)-4-methyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35035442
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 47029950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 25332321) is 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(-n4cccn4)nc3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LIONGJHOUDDGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-14-19(29-21(25-14)16-5-7-17(28-2)8-6-16)20(27)23-13-15-4-9-18(22-12-15)26-11-3-10-24-26/h3-12H,13H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25332321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).