N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide

C13H16N2OS2 — CID 95056710

IUPACN-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1csc(-c2ccc(C)s2)n1
InChIInChI=1S/C13H16N2OS2/c1-4-8(2)14-12(16)10-7-17-13(15-10)11-6-5-9(3)18-11/h5-8H,4H2,1-3H3,(H,14,16)/t8-/m0/s1
InChIKeyUULBHANMFYKNGP-QMMMGPOBSA-N
MW280.42 g/mol
LogP3.71
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide

N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 95056710) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID95056710
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC NameN-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1csc(-c2ccc(C)s2)n1
InChIInChI=1S/C13H16N2OS2/c1-4-8(2)14-12(16)10-7-17-13(15-10)11-6-5-9(3)18-11/h5-8H,4H2,1-3H3,(H,14,16)/t8-/m0/s1
InChIKeyUULBHANMFYKNGP-QMMMGPOBSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-2-(5-methylthiophen-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

2-[[2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119224084
N-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037016
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119223531
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948151
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948615
N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46113759

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide (CID 95056710) is N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide is CC[C@H](C)NC(=O)c1csc(-c2ccc(C)s2)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is UULBHANMFYKNGP-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-4-8(2)14-12(16)10-7-17-13(15-10)11-6-5-9(3)18-11/h5-8H,4H2,1-3H3,(H,14,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide?
N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95056710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).