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

C8H12N2O2S — CID 686021

IUPAC2-methylpropyl N-(1,3-thiazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-6(2)5-12-8(11)10-7-9-3-4-13-7/h3-4,6H,5H2,1-2H3,(H,9,10,11)
InChIKeyWAWZBPLNYBHWTD-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.35
Rot. Bonds3

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

2-methylpropyl N-(1,3-thiazol-2-yl)carbamate (PubChem CID 686021) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1,3-thiazol-2-yl)carbamate
PubChem CID686021
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-methylpropyl N-(1,3-thiazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-6(2)5-12-8(11)10-7-9-3-4-13-7/h3-4,6H,5H2,1-2H3,(H,9,10,11)
InChIKeyWAWZBPLNYBHWTD-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate (CID 686021) is 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate is CC(C)COC(=O)Nc1nccs1.
What is the InChIKey of 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is WAWZBPLNYBHWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(2)5-12-8(11)10-7-9-3-4-13-7/h3-4,6H,5H2,1-2H3,(H,9,10,11).
What are the key properties of 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate?
2-methylpropyl N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 200.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 686021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).