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

C5H5BrN2O2S — CID 130344899

IUPAC(4-bromo-1,3-thiazol-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1nc(Br)cs1
InChIInChI=1S/C5H5BrN2O2S/c6-3-2-11-4(8-3)1-7-5(9)10/h2,7H,1H2,(H,9,10)
InChIKeyHXIWOGVSNURLAW-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.67
Rot. Bonds2

About (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid

(4-bromo-1,3-thiazol-2-yl)methylcarbamic acid (PubChem CID 130344899) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)methylcarbamic acid
PubChem CID130344899
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name(4-bromo-1,3-thiazol-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1nc(Br)cs1
InChIInChI=1S/C5H5BrN2O2S/c6-3-2-11-4(8-3)1-7-5(9)10/h2,7H,1H2,(H,9,10)
InChIKeyHXIWOGVSNURLAW-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid (CID 130344899) is (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid is O=C(O)NCc1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid?
The InChIKey is HXIWOGVSNURLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c6-3-2-11-4(8-3)1-7-5(9)10/h2,7H,1H2,(H,9,10).
What are the key properties of (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid?
(4-bromo-1,3-thiazol-2-yl)methylcarbamic acid has a molecular weight of 237.08 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)methylcarbamic acid is sourced from PubChem (CID 130344899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).