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

C17H23N3OS — CID 110389441

IUPAC4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCc2ccncc2)sc1C(=O)NCCC(C)C
InChIInChI=1S/C17H23N3OS/c1-12(2)6-11-19-17(21)16-13(3)20-15(22-16)5-4-14-7-9-18-10-8-14/h7-10,12H,4-6,11H2,1-3H3,(H,19,21)
InChIKeyNPYXMOMEYQRHPQ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.41
Rot. Bonds7

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

4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110389441) 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-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110389441
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCc2ccncc2)sc1C(=O)NCCC(C)C
InChIInChI=1S/C17H23N3OS/c1-12(2)6-11-19-17(21)16-13(3)20-15(22-16)5-4-14-7-9-18-10-8-14/h7-10,12H,4-6,11H2,1-3H3,(H,19,21)
InChIKeyNPYXMOMEYQRHPQ-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

4-methyl-N-propan-2-yl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389378
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389335
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
4-methyl-N-(3-methylbutyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386501
4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389448
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389468
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706
azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389446
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389324
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
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 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 110389441) is 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CCc2ccncc2)sc1C(=O)NCCC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NPYXMOMEYQRHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(2)6-11-19-17(21)16-13(3)20-15(22-16)5-4-14-7-9-18-10-8-14/h7-10,12H,4-6,11H2,1-3H3,(H,19,21).
What are the key properties of 4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-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-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110389441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).