1,3-thiazol-5-ylmethyl N-phenylcarbamate

C11H10N2O2S — CID 1488974

IUPAC1,3-thiazol-5-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cncs1
InChIInChI=1S/C11H10N2O2S/c14-11(13-9-4-2-1-3-5-9)15-7-10-6-12-8-16-10/h1-6,8H,7H2,(H,13,14)
InChIKeyIURAMCUZZUHHPO-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.89
Rot. Bonds3

About 1,3-thiazol-5-ylmethyl N-phenylcarbamate

1,3-thiazol-5-ylmethyl N-phenylcarbamate (PubChem CID 1488974) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-phenylcarbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-phenylcarbamate
PubChem CID1488974
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name1,3-thiazol-5-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cncs1
InChIInChI=1S/C11H10N2O2S/c14-11(13-9-4-2-1-3-5-9)15-7-10-6-12-8-16-10/h1-6,8H,7H2,(H,13,14)
InChIKeyIURAMCUZZUHHPO-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.89
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-phenylcarbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-phenylcarbamate (CID 1488974) is 1,3-thiazol-5-ylmethyl N-phenylcarbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-phenylcarbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-phenylcarbamate?
The InChIKey is IURAMCUZZUHHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11(13-9-4-2-1-3-5-9)15-7-10-6-12-8-16-10/h1-6,8H,7H2,(H,13,14).
What are the key properties of 1,3-thiazol-5-ylmethyl N-phenylcarbamate?
1,3-thiazol-5-ylmethyl N-phenylcarbamate has a molecular weight of 234.28 g/mol, XLogP of 2.89, 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-phenylcarbamate is sourced from PubChem (CID 1488974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).