(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate

C12H12N2O2S — CID 3042847

IUPAC(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate
SMILESCc1ncc(COC(=O)Nc2ccccc2)s1
InChIInChI=1S/C12H12N2O2S/c1-9-13-7-11(17-9)8-16-12(15)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyHFZWUTJFHVZJDK-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.20
Rot. Bonds3

About (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate

(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate (PubChem CID 3042847) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate
PubChem CID3042847
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate
SMILESCc1ncc(COC(=O)Nc2ccccc2)s1
InChIInChI=1S/C12H12N2O2S/c1-9-13-7-11(17-9)8-16-12(15)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyHFZWUTJFHVZJDK-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 (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate (CID 3042847) is (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate is Cc1ncc(COC(=O)Nc2ccccc2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate?
The InChIKey is HFZWUTJFHVZJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-13-7-11(17-9)8-16-12(15)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate?
(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate 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 (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 3042847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).