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

C12H12N2O2S — CID 1220478

IUPACmethyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C12H12N2O2S/c1-8-10(9-6-4-3-5-7-9)13-11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyBGGLLMLUCHWGJR-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.30
Rot. Bonds2

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

methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate (PubChem CID 1220478) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
PubChem CID1220478
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C12H12N2O2S/c1-8-10(9-6-4-3-5-7-9)13-11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyBGGLLMLUCHWGJR-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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Related Compounds

methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
CID 17373740
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 3649410
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1182206
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate (CID 1220478) is methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate is COC(=O)Nc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is BGGLLMLUCHWGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-10(9-6-4-3-5-7-9)13-11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-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-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 1220478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).