6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide

C19H19N3O3S — CID 142633358

IUPAC6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc(-c2nc(-c3cccc(C(=O)N(C)C)n3)cs2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-22(2)19(23)14-7-5-6-13(20-14)15-11-26-18(21-15)12-8-9-16(24-3)17(10-12)25-4/h5-11H,1-4H3
InChIKeyXELRPIUBUDQHNN-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.59
Rot. Bonds5

About 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide

6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 142633358) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID142633358
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc(-c2nc(-c3cccc(C(=O)N(C)C)n3)cs2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-22(2)19(23)14-7-5-6-13(20-14)15-11-26-18(21-15)12-8-9-16(24-3)17(10-12)25-4/h5-11H,1-4H3
InChIKeyXELRPIUBUDQHNN-UHFFFAOYSA-N
XLogP3.59
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 139841739
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46452265
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 33120915
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-thiazole-4-carboxamide
CID 27231015
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide (CID 142633358) is 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide is COc1ccc(-c2nc(-c3cccc(C(=O)N(C)C)n3)cs2)cc1OC.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is XELRPIUBUDQHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22(2)19(23)14-7-5-6-13(20-14)15-11-26-18(21-15)12-8-9-16(24-3)17(10-12)25-4/h5-11H,1-4H3.
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide?
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 142633358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).