N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide

C9H15N3OS — CID 65193010

IUPACN-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C(CN)NC(=O)c1cscn1
InChIInChI=1S/C9H15N3OS/c1-6(2)7(3-10)12-9(13)8-4-14-5-11-8/h4-7H,3,10H2,1-2H3,(H,12,13)
InChIKeyMGHZORSONVKHDK-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.86
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide

N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 65193010) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID65193010
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C(CN)NC(=O)c1cscn1
InChIInChI=1S/C9H15N3OS/c1-6(2)7(3-10)12-9(13)8-4-14-5-11-8/h4-7H,3,10H2,1-2H3,(H,12,13)
InChIKeyMGHZORSONVKHDK-UHFFFAOYSA-N
XLogP0.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62045490
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
N-(1-cyclobutylethyl)-1,3-thiazole-4-carboxamide
CID 115769139
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144390
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide (CID 65193010) is N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide is CC(C)C(CN)NC(=O)c1cscn1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MGHZORSONVKHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(2)7(3-10)12-9(13)8-4-14-5-11-8/h4-7H,3,10H2,1-2H3,(H,12,13).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65193010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).