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

C10H15N3O3S — CID 51095277

IUPACmethyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C10H15N3O3S/c1-7-12-8(6-17-7)5-13(2)9(14)4-11-10(15)16-3/h6H,4-5H2,1-3H3,(H,11,15)
InChIKeyRTMSJBMVLDJHLV-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.77
Rot. Bonds4

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

methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate (PubChem CID 51095277) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
PubChem CID51095277
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Namemethyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C10H15N3O3S/c1-7-12-8(6-17-7)5-13(2)9(14)4-11-10(15)16-3/h6H,4-5H2,1-3H3,(H,11,15)
InChIKeyRTMSJBMVLDJHLV-UHFFFAOYSA-N
XLogP0.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]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-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate (CID 51095277) is methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N(C)Cc1csc(C)n1.
What is the InChIKey of methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The InChIKey is RTMSJBMVLDJHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-12-8(6-17-7)5-13(2)9(14)4-11-10(15)16-3/h6H,4-5H2,1-3H3,(H,11,15).
What are the key properties of methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate has a molecular weight of 257.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 51095277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).