4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one

C4H5BrN2OS — CID 83884226

IUPAC4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one
SMILESNCc1[nH]c(=O)sc1Br
InChIInChI=1S/C4H5BrN2OS/c5-3-2(1-6)7-4(8)9-3/h1,6H2,(H,7,8)
InChIKeySJYROACNNAMEAH-UHFFFAOYSA-N
MW209.07 g/mol
LogP0.66
Rot. Bonds1

About 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one

4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one (PubChem CID 83884226) has the molecular formula C4H5BrN2OS and a molecular weight of 209.07 g/mol. Its IUPAC name is 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one
PubChem CID83884226
Molecular FormulaC4H5BrN2OS
Molecular Weight209.07 g/mol
Exact Mass207.93
IUPAC Name4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one
SMILESNCc1[nH]c(=O)sc1Br
InChIInChI=1S/C4H5BrN2OS/c5-3-2(1-6)7-4(8)9-3/h1,6H2,(H,7,8)
InChIKeySJYROACNNAMEAH-UHFFFAOYSA-N
XLogP0.66
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one 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

4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one
CID 83891010
5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one
CID 114361603
4-ethyl-5-methyl-3H-1,3-thiazol-2-one
CID 43286731
6-(aminomethyl)-5-methyl-1H-pyridin-2-one;dihydrochloride
CID 154814531
4,5-diamino-3H-1,3-thiazol-2-one
CID 67278795
4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride
CID 71756373
5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106383980
7-(2-aminoethyl)-2-oxo-3H-1,3-benzothiazol-4-olate
CID 143732285
7-(2-aminoethyl)-4-hydroxy-3H-1,3-benzothiazol-2-one;hydrofluoride
CID 142718191
4-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
CID 83880356
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one
CID 104841403

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one (CID 83884226) is 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one is NCc1[nH]c(=O)sc1Br.
What is the InChIKey of 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one?
The InChIKey is SJYROACNNAMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2OS/c5-3-2(1-6)7-4(8)9-3/h1,6H2,(H,7,8).
What are the key properties of 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one?
4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one has a molecular weight of 209.07 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one is sourced from PubChem (CID 83884226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).