1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate

C12H12N2O2S — CID 1488981

IUPAC1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2cncs2)cc1
InChIInChI=1S/C12H12N2O2S/c1-9-2-4-10(5-3-9)14-12(15)16-7-11-6-13-8-17-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyQUGQMWQRGKLLAA-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.20
Rot. Bonds3

About 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate

1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate (PubChem CID 1488981) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate
PubChem CID1488981
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2cncs2)cc1
InChIInChI=1S/C12H12N2O2S/c1-9-2-4-10(5-3-9)14-12(15)16-7-11-6-13-8-17-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyQUGQMWQRGKLLAA-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate (CID 1488981) is 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCc2cncs2)cc1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate?
The InChIKey is QUGQMWQRGKLLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-2-4-10(5-3-9)14-12(15)16-7-11-6-13-8-17-11/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate?
1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate has a molecular weight of 248.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 1488981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).