2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide

C15H17ClN2OS — CID 91822166

IUPAC2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C15H17ClN2OS/c1-10(2)8-9-17-14(19)13-12(18-15(16)20-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyUFZIDVXATVLHGS-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.24
Rot. Bonds5

About 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 91822166) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID91822166
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C15H17ClN2OS/c1-10(2)8-9-17-14(19)13-12(18-15(16)20-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyUFZIDVXATVLHGS-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-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

5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 110649271
N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772034
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776734
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
2-benzhydryl-N-[4-(methylamino)butyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 138747738
N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 118917738
(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695141
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 91822166) is 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide is CC(C)CCNC(=O)c1sc(Cl)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is UFZIDVXATVLHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10(2)8-9-17-14(19)13-12(18-15(16)20-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 308.83 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91822166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).