methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate

C14H15N3O3S — CID 175269139

IUPACmethyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1ccc(-c2scnc2C)cc1)C(N)=O
InChIInChI=1S/C14H15N3O3S/c1-9-12(21-8-16-9)11-5-3-10(4-6-11)7-17(13(15)18)14(19)20-2/h3-6,8H,7H2,1-2H3,(H2,15,18)
InChIKeyIGFFIQHEZWGRNP-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.77
Rot. Bonds3

About methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate

methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate (PubChem CID 175269139) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate
PubChem CID175269139
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1ccc(-c2scnc2C)cc1)C(N)=O
InChIInChI=1S/C14H15N3O3S/c1-9-12(21-8-16-9)11-5-3-10(4-6-11)7-17(13(15)18)14(19)20-2/h3-6,8H,7H2,1-2H3,(H2,15,18)
InChIKeyIGFFIQHEZWGRNP-UHFFFAOYSA-N
XLogP2.77
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate?
The IUPAC name of methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate (CID 175269139) is methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate?
The canonical SMILES for methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate is COC(=O)N(Cc1ccc(-c2scnc2C)cc1)C(N)=O.
What is the InChIKey of methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate?
The InChIKey is IGFFIQHEZWGRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-12(21-8-16-9)11-5-3-10(4-6-11)7-17(13(15)18)14(19)20-2/h3-6,8H,7H2,1-2H3,(H2,15,18).
What are the key properties of methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate?
methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate has a molecular weight of 305.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-carbamoyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 175269139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).