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

C5H5BrN2O2S — CID 146452488

IUPAC(4-bromo-1,3-thiazol-2-yl) N-methylcarbamate
SMILESCNC(=O)Oc1nc(Br)cs1
InChIInChI=1S/C5H5BrN2O2S/c1-7-4(9)10-5-8-3(6)2-11-5/h2H,1H3,(H,7,9)
InChIKeyLXJCPESMYUBXPX-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.62
Rot. Bonds1

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

(4-bromo-1,3-thiazol-2-yl) N-methylcarbamate (PubChem CID 146452488) 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) N-methylcarbamate.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl) N-methylcarbamate
PubChem CID146452488
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name(4-bromo-1,3-thiazol-2-yl) N-methylcarbamate
SMILESCNC(=O)Oc1nc(Br)cs1
InChIInChI=1S/C5H5BrN2O2S/c1-7-4(9)10-5-8-3(6)2-11-5/h2H,1H3,(H,7,9)
InChIKeyLXJCPESMYUBXPX-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1,3-thiazol-2-yl) N-(2-trimethylsilylethoxymethyl)carbamate
CID 89907748
(4-Bromo-1,3-thiazol-2-yl)methylcarbamic acid
CID 130344899
(4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate
CID 146401193
(4-Bromo-1,3-thiazol-2-yl) carbamate
CID 153461566

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl) N-methylcarbamate?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl) N-methylcarbamate (CID 146452488) is (4-bromo-1,3-thiazol-2-yl) N-methylcarbamate.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl) N-methylcarbamate?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl) N-methylcarbamate is CNC(=O)Oc1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl) N-methylcarbamate?
The InChIKey is LXJCPESMYUBXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c1-7-4(9)10-5-8-3(6)2-11-5/h2H,1H3,(H,7,9).
What are the key properties of (4-bromo-1,3-thiazol-2-yl) N-methylcarbamate?
(4-bromo-1,3-thiazol-2-yl) N-methylcarbamate has a molecular weight of 237.08 g/mol, XLogP of 1.62, 1 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-2-yl) N-methylcarbamate is sourced from PubChem (CID 146452488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).