N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C12H21N3OS — CID 113265800

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)(CN)C(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-7(2)12(5,6-13)15-11(16)10-8(3)14-9(4)17-10/h7H,6,13H2,1-5H3,(H,15,16)
InChIKeyIOCUGKGYHVIFIY-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.86
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 113265800) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID113265800
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)(CN)C(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-7(2)12(5,6-13)15-11(16)10-8(3)14-9(4)17-10/h7H,6,13H2,1-5H3,(H,15,16)
InChIKeyIOCUGKGYHVIFIY-UHFFFAOYSA-N
XLogP1.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 115310439
N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 115310485
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120506203
N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 64555981
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 81486406
N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110002203
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119606869
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119608056
N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 56522837
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 113265800) is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(C)(CN)C(C)C)s1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is IOCUGKGYHVIFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-7(2)12(5,6-13)15-11(16)10-8(3)14-9(4)17-10/h7H,6,13H2,1-5H3,(H,15,16).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113265800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).