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

C12H12N2O2S — CID 108727310

IUPACmethyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C12H12N2O2S/c1-8-13-11(7-17-8)9-3-5-10(6-4-9)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
InChIKeyHGAILFXFTKTJTD-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.30
Rot. Bonds2

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

methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate (PubChem CID 108727310) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
PubChem CID108727310
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C12H12N2O2S/c1-8-13-11(7-17-8)9-3-5-10(6-4-9)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
InChIKeyHGAILFXFTKTJTD-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

2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 106112438
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
tert-butyl N-[(E)-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]but-2-enyl]carbamate
CID 99801662
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate (CID 108727310) is methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate is COC(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate?
The InChIKey is HGAILFXFTKTJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-13-11(7-17-8)9-3-5-10(6-4-9)14-12(15)16-2/h3-7H,1-2H3,(H,14,15).
What are the key properties of methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate?
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 108727310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).