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

C13H15N3O3S2 — CID 70770874

IUPACmethyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N(C)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C13H15N3O3S2/c1-16(11(17)6-14-13(18)19-2)7-9-8-21-12(15-9)10-4-3-5-20-10/h3-5,8H,6-7H2,1-2H3,(H,14,18)
InChIKeyLOGMOKZLHIOFBG-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.19
Rot. Bonds5

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

methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate (PubChem CID 70770874) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
PubChem CID70770874
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Namemethyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N(C)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C13H15N3O3S2/c1-16(11(17)6-14-13(18)19-2)7-9-8-21-12(15-9)10-4-3-5-20-10/h3-5,8H,6-7H2,1-2H3,(H,14,18)
InChIKeyLOGMOKZLHIOFBG-UHFFFAOYSA-N
XLogP2.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate (CID 70770874) is methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N(C)Cc1csc(-c2cccs2)n1.
What is the InChIKey of methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The InChIKey is LOGMOKZLHIOFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-16(11(17)6-14-13(18)19-2)7-9-8-21-12(15-9)10-4-3-5-20-10/h3-5,8H,6-7H2,1-2H3,(H,14,18).
What are the key properties of methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate has a molecular weight of 325.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 70770874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).