2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 141289102

IUPAC2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1cc(-c2nc(C)c(C(=O)NC)s2)ccn1
InChIInChI=1S/C13H15N3OS/c1-4-10-7-9(5-6-15-10)13-16-8(2)11(18-13)12(17)14-3/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyHQMIPOOBVKQDDU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.44
Rot. Bonds3

About 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 141289102) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID141289102
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1cc(-c2nc(C)c(C(=O)NC)s2)ccn1
InChIInChI=1S/C13H15N3OS/c1-4-10-7-9(5-6-15-10)13-16-8(2)11(18-13)12(17)14-3/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyHQMIPOOBVKQDDU-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 53367712
(E)-3-(4-chlorophenyl)-1-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one
CID 154585267
methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 71707344
3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide
CID 68941268
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 56763271
3-[2-[[[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]-4-pyridinyl]benzoic acid
CID 59219225
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
N-[4-(bromomethyl)phenyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-amine
CID 86299995
N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
2-(3,4-dimethoxyphenyl)-4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56557715
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 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 141289102) is 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is CCc1cc(-c2nc(C)c(C(=O)NC)s2)ccn1.
What is the InChIKey of 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is HQMIPOOBVKQDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-4-10-7-9(5-6-15-10)13-16-8(2)11(18-13)12(17)14-3/h5-7H,4H2,1-3H3,(H,14,17).
What are the key properties of 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141289102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).