(4-bromo-1,3-thiazol-2-yl) carbamate

C4H3BrN2O2S — CID 153461566

IUPAC(4-bromo-1,3-thiazol-2-yl) carbamate
SMILESNC(=O)Oc1nc(Br)cs1
InChIInChI=1S/C4H3BrN2O2S/c5-2-1-10-4(7-2)9-3(6)8/h1H,(H2,6,8)
InChIKeyOGLRRURCYCLRAV-UHFFFAOYSA-N
MW223.05 g/mol
LogP1.36
Rot. Bonds1

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

(4-bromo-1,3-thiazol-2-yl) carbamate (PubChem CID 153461566) has the molecular formula C4H3BrN2O2S and a molecular weight of 223.05 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl) carbamate.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl) carbamate
PubChem CID153461566
Molecular FormulaC4H3BrN2O2S
Molecular Weight223.05 g/mol
Exact Mass221.91
IUPAC Name(4-bromo-1,3-thiazol-2-yl) carbamate
SMILESNC(=O)Oc1nc(Br)cs1
InChIInChI=1S/C4H3BrN2O2S/c5-2-1-10-4(7-2)9-3(6)8/h1H,(H2,6,8)
InChIKeyOGLRRURCYCLRAV-UHFFFAOYSA-N
XLogP1.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Bromo-1,3-thiazol-2-yl) hydrogen carbonate
CID 66633804
(4-Methylsulfanyl-1,3-thiazol-2-yl) carbamate
CID 68728211
O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine
CID 79424599
(4-Bromo-1,3-thiazol-2-yl) formate
CID 123928502
(4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate
CID 146401193
(4-Bromo-1,3-thiazol-2-yl)methyl carbamate
CID 146452179
(4-bromo-1,3-thiazol-2-yl) N-methylcarbamate
CID 146452488
(2-Bromo-1,3-thiazol-4-yl) carbamate
CID 156213094

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl) carbamate?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl) carbamate (CID 153461566) is (4-bromo-1,3-thiazol-2-yl) carbamate.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl) carbamate?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl) carbamate is NC(=O)Oc1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl) carbamate?
The InChIKey is OGLRRURCYCLRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2O2S/c5-2-1-10-4(7-2)9-3(6)8/h1H,(H2,6,8).
What are the key properties of (4-bromo-1,3-thiazol-2-yl) carbamate?
(4-bromo-1,3-thiazol-2-yl) carbamate has a molecular weight of 223.05 g/mol, XLogP of 1.36, 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) carbamate is sourced from PubChem (CID 153461566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).