2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate

C8H11BrN2O2S — CID 60785448

IUPAC2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H11BrN2O2S/c1-5(2)4-13-8(12)11-7-10-3-6(9)14-7/h3,5H,4H2,1-2H3,(H,10,11,12)
InChIKeyCCCCSLHGLMQNEK-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.11
Rot. Bonds3

About 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate

2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate (PubChem CID 60785448) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
PubChem CID60785448
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H11BrN2O2S/c1-5(2)4-13-8(12)11-7-10-3-6(9)14-7/h3,5H,4H2,1-2H3,(H,10,11,12)
InChIKeyCCCCSLHGLMQNEK-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate (CID 60785448) is 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate is CC(C)COC(=O)Nc1ncc(Br)s1.
What is the InChIKey of 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate?
The InChIKey is CCCCSLHGLMQNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-5(2)4-13-8(12)11-7-10-3-6(9)14-7/h3,5H,4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate?
2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate has a molecular weight of 279.16 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(5-bromo-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 60785448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).