(4-bromo-1,3-thiazol-5-yl)methyl carbamate

C5H5BrN2O2S — CID 141025098

IUPAC(4-bromo-1,3-thiazol-5-yl)methyl carbamate
SMILESNC(=O)OCc1scnc1Br
InChIInChI=1S/C5H5BrN2O2S/c6-4-3(11-2-8-4)1-10-5(7)9/h2H,1H2,(H2,7,9)
InChIKeyLLUIRQKWBDMJHJ-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.50
Rot. Bonds2

About (4-bromo-1,3-thiazol-5-yl)methyl carbamate

(4-bromo-1,3-thiazol-5-yl)methyl carbamate (PubChem CID 141025098) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-5-yl)methyl carbamate.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-5-yl)methyl carbamate
PubChem CID141025098
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name(4-bromo-1,3-thiazol-5-yl)methyl carbamate
SMILESNC(=O)OCc1scnc1Br
InChIInChI=1S/C5H5BrN2O2S/c6-4-3(11-2-8-4)1-10-5(7)9/h2H,1H2,(H2,7,9)
InChIKeyLLUIRQKWBDMJHJ-UHFFFAOYSA-N
XLogP1.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-5-yl)methyl carbamate?
The IUPAC name of (4-bromo-1,3-thiazol-5-yl)methyl carbamate (CID 141025098) is (4-bromo-1,3-thiazol-5-yl)methyl carbamate.
What is the SMILES notation for (4-bromo-1,3-thiazol-5-yl)methyl carbamate?
The canonical SMILES for (4-bromo-1,3-thiazol-5-yl)methyl carbamate is NC(=O)OCc1scnc1Br.
What is the InChIKey of (4-bromo-1,3-thiazol-5-yl)methyl carbamate?
The InChIKey is LLUIRQKWBDMJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c6-4-3(11-2-8-4)1-10-5(7)9/h2H,1H2,(H2,7,9).
What are the key properties of (4-bromo-1,3-thiazol-5-yl)methyl carbamate?
(4-bromo-1,3-thiazol-5-yl)methyl carbamate has a molecular weight of 237.08 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-5-yl)methyl carbamate is sourced from PubChem (CID 141025098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).