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

C10H13N3O3S — CID 16883822

IUPACmethyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CC(=O)NC2CC2)cs1
InChIInChI=1S/C10H13N3O3S/c1-16-10(15)13-9-12-7(5-17-9)4-8(14)11-6-2-3-6/h5-6H,2-4H2,1H3,(H,11,14)(H,12,13,15)
InChIKeyIGIYGRQGAAFTJA-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.14
Rot. Bonds4

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

methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883822) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883822
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Namemethyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CC(=O)NC2CC2)cs1
InChIInChI=1S/C10H13N3O3S/c1-16-10(15)13-9-12-7(5-17-9)4-8(14)11-6-2-3-6/h5-6H,2-4H2,1H3,(H,11,14)(H,12,13,15)
InChIKeyIGIYGRQGAAFTJA-UHFFFAOYSA-N
XLogP1.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]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-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16883822) is methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(CC(=O)NC2CC2)cs1.
What is the InChIKey of methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is IGIYGRQGAAFTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-16-10(15)13-9-12-7(5-17-9)4-8(14)11-6-2-3-6/h5-6H,2-4H2,1H3,(H,11,14)(H,12,13,15).
What are the key properties of methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 255.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).