2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide

C17H21BrN2OS — CID 110312773

IUPAC2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)C(c2ccc(Br)cc2)C(C)C)cs1
InChIInChI=1S/C17H21BrN2OS/c1-11(2)16(13-4-6-14(18)7-5-13)17(21)19-9-8-15-10-22-12(3)20-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,19,21)
InChIKeyIUWDKFQMEQQSHE-UHFFFAOYSA-N
MW381.34 g/mol
LogP4.31
Rot. Bonds6

About 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide

2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 110312773) has the molecular formula C17H21BrN2OS and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID110312773
Molecular FormulaC17H21BrN2OS
Molecular Weight381.34 g/mol
Exact Mass380.06
IUPAC Name2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)C(c2ccc(Br)cc2)C(C)C)cs1
InChIInChI=1S/C17H21BrN2OS/c1-11(2)16(13-4-6-14(18)7-5-13)17(21)19-9-8-15-10-22-12(3)20-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,19,21)
InChIKeyIUWDKFQMEQQSHE-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide 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-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
N-(4-bromophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]acetamide
CID 106045402
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-carbamothioyl-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 114139132
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110353144
1-[4-(1-aminoethyl)phenyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 106049607
N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110356855
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
CID 106047514
N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 75449533
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide (CID 110312773) is 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide is Cc1nc(CCNC(=O)C(c2ccc(Br)cc2)C(C)C)cs1.
What is the InChIKey of 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is IUWDKFQMEQQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2OS/c1-11(2)16(13-4-6-14(18)7-5-13)17(21)19-9-8-15-10-22-12(3)20-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 381.34 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 110312773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).