2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide

C13H13BrN2OS — CID 39855034

IUPAC2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2ccc(Br)cc2)s1
InChIInChI=1S/C13H13BrN2OS/c1-9-15-7-12(18-9)8-16-13(17)6-10-2-4-11(14)5-3-10/h2-5,7H,6,8H2,1H3,(H,16,17)
InChIKeyAKPFWWGXLWWFDN-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide

2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 39855034) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID39855034
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2ccc(Br)cc2)s1
InChIInChI=1S/C13H13BrN2OS/c1-9-15-7-12(18-9)8-16-13(17)6-10-2-4-11(14)5-3-10/h2-5,7H,6,8H2,1H3,(H,16,17)
InChIKeyAKPFWWGXLWWFDN-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86836135
4-bromo-N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropyl]benzamide
CID 86825632
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 86836262
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280444
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86836141
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 39855034) is 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncc(CNC(=O)Cc2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is AKPFWWGXLWWFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-9-15-7-12(18-9)8-16-13(17)6-10-2-4-11(14)5-3-10/h2-5,7H,6,8H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 325.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 39855034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).