4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide

C17H23N3OS — CID 110389335

IUPAC4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCc2ccccn2)sc1C(=O)NCCC(C)C
InChIInChI=1S/C17H23N3OS/c1-12(2)9-11-19-17(21)16-13(3)20-15(22-16)8-7-14-6-4-5-10-18-14/h4-6,10,12H,7-9,11H2,1-3H3,(H,19,21)
InChIKeyQSFVFZNEWCJRFS-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.41
Rot. Bonds7

About 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110389335) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110389335
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCc2ccccn2)sc1C(=O)NCCC(C)C
InChIInChI=1S/C17H23N3OS/c1-12(2)9-11-19-17(21)16-13(3)20-15(22-16)8-7-14-6-4-5-10-18-14/h4-6,10,12H,7-9,11H2,1-3H3,(H,19,21)
InChIKeyQSFVFZNEWCJRFS-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389314
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389332
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389324
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389441
4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389297
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N,4-dimethyl-N-phenyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389345
4-methyl-N-(3-methylbutyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386501
4-methyl-N-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387086
[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 110389286
(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389338

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 110389335) is 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CCc2ccccn2)sc1C(=O)NCCC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QSFVFZNEWCJRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(2)9-11-19-17(21)16-13(3)20-15(22-16)8-7-14-6-4-5-10-18-14/h4-6,10,12H,7-9,11H2,1-3H3,(H,19,21).
What are the key properties of 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110389335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).