3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide

C17H23N3OS — CID 42925901

IUPAC3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H23N3OS/c1-10(2)13-6-8-14(9-7-13)11(3)19-16(21)15-12(4)20-22-17(15)18-5/h6-11,18H,1-5H3,(H,19,21)
InChIKeyIWIQKLNVQHAVCR-UHFFFAOYSA-N
MW317.46 g/mol
LogP4.11
Rot. Bonds5

About 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide (PubChem CID 42925901) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide
PubChem CID42925901
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H23N3OS/c1-10(2)13-6-8-14(9-7-13)11(3)19-16(21)15-12(4)20-22-17(15)18-5/h6-11,18H,1-5H3,(H,19,21)
InChIKeyIWIQKLNVQHAVCR-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R,R)-2-methyl-N-(4-methyl-3-phenylisothiazol-5-yl)-cyclopropanecarboxamide
CID 67179855
N,3-dimethyl-5-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 37988608
N-[(2,4-difluorophenyl)methyl]-N,3-dimethyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 37947341
3-(trans-2-((cyclopropyl-methyl)amino)cyclo-propyl)-N-(3-methyl-1,2-thiazol-5-yl)benzamide hydrochloride
CID 118304979
4-Isothiazolecarboxamide, 5-benzamido-N-cyclohexyl-3-methyl-
CID 32182
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 27449568
3-methyl-5-(methylamino)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 32918468
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 42953880
N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 45860923
(4-Benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 25326408
N,3-dimethyl-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 34857534
N,3-dimethyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 38456620

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide (CID 42925901) is 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide?
The InChIKey is IWIQKLNVQHAVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-10(2)13-6-8-14(9-7-13)11(3)19-16(21)15-12(4)20-22-17(15)18-5/h6-11,18H,1-5H3,(H,19,21).
What are the key properties of 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 42925901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).