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

C7H9BrN2OS — CID 63681267

IUPAC2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncsc1CNC(=O)CBr
InChIInChI=1S/C7H9BrN2OS/c1-5-6(12-4-10-5)3-9-7(11)2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyKYCGBLWANYIEHI-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.46
Rot. Bonds3

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

2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 63681267) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID63681267
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncsc1CNC(=O)CBr
InChIInChI=1S/C7H9BrN2OS/c1-5-6(12-4-10-5)3-9-7(11)2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyKYCGBLWANYIEHI-UHFFFAOYSA-N
XLogP1.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid
CID 63281019
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
2-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 131203570
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 82012439
3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63279966
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63280307
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 63284109

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 63681267) is 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncsc1CNC(=O)CBr.
What is the InChIKey of 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is KYCGBLWANYIEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-5-6(12-4-10-5)3-9-7(11)2-8/h4H,2-3H2,1H3,(H,9,11).
What are the key properties of 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 249.13 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 63681267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).