(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid

C5H5BrN2O2S — CID 118109143

IUPAC(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1nc(NC(=O)O)sc1Br
InChIInChI=1S/C5H5BrN2O2S/c1-2-3(6)11-4(7-2)8-5(9)10/h1H3,(H,7,8)(H,9,10)
InChIKeyHNXUVZNAONLWLQ-UHFFFAOYSA-N
MW237.08 g/mol
LogP2.30
Rot. Bonds1

About (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid

(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 118109143) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID118109143
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1nc(NC(=O)O)sc1Br
InChIInChI=1S/C5H5BrN2O2S/c1-2-3(6)11-4(7-2)8-5(9)10/h1H3,(H,7,8)(H,9,10)
InChIKeyHNXUVZNAONLWLQ-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid (CID 118109143) is (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid is Cc1nc(NC(=O)O)sc1Br.
What is the InChIKey of (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is HNXUVZNAONLWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c1-2-3(6)11-4(7-2)8-5(9)10/h1H3,(H,7,8)(H,9,10).
What are the key properties of (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid?
(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 237.08 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 118109143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).