methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate

C12H12N2O2S — CID 811874

IUPACmethyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
SMILESCOC(=O)Nc1sc(C)nc1-c1ccccc1
InChIInChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
InChIKeyWVXKXRCDQRXTDH-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.30
Rot. Bonds2

About methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate

methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate (PubChem CID 811874) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
PubChem CID811874
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
SMILESCOC(=O)Nc1sc(C)nc1-c1ccccc1
InChIInChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
InChIKeyWVXKXRCDQRXTDH-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate (CID 811874) is methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate is COC(=O)Nc1sc(C)nc1-c1ccccc1.
What is the InChIKey of methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate?
The InChIKey is WVXKXRCDQRXTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15).
What are the key properties of methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate?
methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate has a molecular weight of 248.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 811874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).