phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate

C11H10N2O2S — CID 110723371

IUPACphenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
SMILESCN(C(=O)Oc1ccccc1)c1nccs1
InChIInChI=1S/C11H10N2O2S/c1-13(10-12-7-8-16-10)11(14)15-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyUSUQCRWJDSFUKB-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.78
Rot. Bonds2

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

phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate (PubChem CID 110723371) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
PubChem CID110723371
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namephenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
SMILESCN(C(=O)Oc1ccccc1)c1nccs1
InChIInChI=1S/C11H10N2O2S/c1-13(10-12-7-8-16-10)11(14)15-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyUSUQCRWJDSFUKB-UHFFFAOYSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate (CID 110723371) is phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate is CN(C(=O)Oc1ccccc1)c1nccs1.
What is the InChIKey of phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is USUQCRWJDSFUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-13(10-12-7-8-16-10)11(14)15-9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate?
phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 234.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 110723371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).