N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C18H17N3OS — CID 39080833

IUPACN-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccncc2)sc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H17N3OS/c1-13-16(23-17(20-13)15-8-10-19-11-9-15)18(22)21(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyFTVIBVTVJMKEQK-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.79
Rot. Bonds4

About N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 39080833) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID39080833
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccncc2)sc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H17N3OS/c1-13-16(23-17(20-13)15-8-10-19-11-9-15)18(22)21(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyFTVIBVTVJMKEQK-UHFFFAOYSA-N
XLogP3.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
N,4-dimethyl-2-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24515264
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721172
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86824226
N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520991
N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55920535
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824747
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 39080833) is N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccncc2)sc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FTVIBVTVJMKEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13-16(23-17(20-13)15-8-10-19-11-9-15)18(22)21(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39080833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).