benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate

C11H9BrN2O2S — CID 121232006

IUPACbenzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
SMILESO=C(Nc1csc(Br)n1)OCc1ccccc1
InChIInChI=1S/C11H9BrN2O2S/c12-10-13-9(7-17-10)14-11(15)16-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)
InChIKeyPGNKHWKTQXMUSB-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.65
Rot. Bonds3

About benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate

benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate (PubChem CID 121232006) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
PubChem CID121232006
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Namebenzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
SMILESO=C(Nc1csc(Br)n1)OCc1ccccc1
InChIInChI=1S/C11H9BrN2O2S/c12-10-13-9(7-17-10)14-11(15)16-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)
InChIKeyPGNKHWKTQXMUSB-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate 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

6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
CID 63643408
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(1-tert-butyl-2-oxopyrimidin-4-yl)carbamate
CID 118527129
2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 171836514
5-bromo-2-(phenylmethoxycarbonylamino)pyrimidine-4-carboxylic acid
CID 167740348
4-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655489
benzyl N-(6-chloro-2-cyclononylpyrimidin-4-yl)carbamate
CID 139393302
ethyl (Z)-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]but-2-enoate
CID 169435852
benzyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 119005534
benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
methyl 2-[5-(phenylmethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458502

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate?
The IUPAC name of benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate (CID 121232006) is benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate?
The canonical SMILES for benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate is O=C(Nc1csc(Br)n1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate?
The InChIKey is PGNKHWKTQXMUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-10-13-9(7-17-10)14-11(15)16-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15).
What are the key properties of benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate?
benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate has a molecular weight of 313.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 121232006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).