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

C8H11BrN2O2S — CID 146401193

IUPAC(4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1nc(Br)cs1
InChIInChI=1S/C8H11BrN2O2S/c1-8(2,3)11-6(12)13-7-10-5(9)4-14-7/h4H,1-3H3,(H,11,12)
InChIKeyLGZZGDGULXIMLF-UHFFFAOYSA-N
MW279.16 g/mol
LogP2.79
Rot. Bonds1

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

(4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate (PubChem CID 146401193) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate
PubChem CID146401193
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name(4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1nc(Br)cs1
InChIInChI=1S/C8H11BrN2O2S/c1-8(2,3)11-6(12)13-7-10-5(9)4-14-7/h4H,1-3H3,(H,11,12)
InChIKeyLGZZGDGULXIMLF-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 52.79
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-2-yl) N-tert-butylcarbamate?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate (CID 146401193) is (4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate?
The InChIKey is LGZZGDGULXIMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-8(2,3)11-6(12)13-7-10-5(9)4-14-7/h4H,1-3H3,(H,11,12).
What are the key properties of (4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate?
(4-bromo-1,3-thiazol-2-yl) N-tert-butylcarbamate has a molecular weight of 279.16 g/mol, XLogP of 2.79, 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-tert-butylcarbamate is sourced from PubChem (CID 146401193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).