(2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid

C5H5BrN2O2S — CID 66645289

IUPAC(2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cnc(Br)s1
InChIInChI=1S/C5H5BrN2O2S/c1-8(5(9)10)3-2-7-4(6)11-3/h2H,1H3,(H,9,10)
InChIKeyHIPLISCOTMULPO-UHFFFAOYSA-N
MW237.08 g/mol
LogP2.02
Rot. Bonds1

About (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid

(2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid (PubChem CID 66645289) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid
PubChem CID66645289
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name(2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cnc(Br)s1
InChIInChI=1S/C5H5BrN2O2S/c1-8(5(9)10)3-2-7-4(6)11-3/h2H,1H3,(H,9,10)
InChIKeyHIPLISCOTMULPO-UHFFFAOYSA-N
XLogP2.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid?
The IUPAC name of (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid (CID 66645289) is (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid.
What is the SMILES notation for (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid?
The canonical SMILES for (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid is CN(C(=O)O)c1cnc(Br)s1.
What is the InChIKey of (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid?
The InChIKey is HIPLISCOTMULPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c1-8(5(9)10)3-2-7-4(6)11-3/h2H,1H3,(H,9,10).
What are the key properties of (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid?
(2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid has a molecular weight of 237.08 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-5-yl)-methylcarbamic acid is sourced from PubChem (CID 66645289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).