methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate

C13H14N4O5S2 — CID 16883849

IUPACmethyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C13H14N4O5S2/c1-22-13(19)17-12-16-9(7-23-12)6-11(18)15-8-2-4-10(5-3-8)24(14,20)21/h2-5,7H,6H2,1H3,(H,15,18)(H2,14,20,21)(H,16,17,19)
InChIKeyIKSDZRFWLJIKMF-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.15
Rot. Bonds5

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

methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883849) has the molecular formula C13H14N4O5S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883849
Molecular FormulaC13H14N4O5S2
Molecular Weight370.41 g/mol
Exact Mass370.04
IUPAC Namemethyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C13H14N4O5S2/c1-22-13(19)17-12-16-9(7-23-12)6-11(18)15-8-2-4-10(5-3-8)24(14,20)21/h2-5,7H,6H2,1H3,(H,15,18)(H2,14,20,21)(H,16,17,19)
InChIKeyIKSDZRFWLJIKMF-UHFFFAOYSA-N
XLogP1.15
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate (CID 16883849) is methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is IKSDZRFWLJIKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S2/c1-22-13(19)17-12-16-9(7-23-12)6-11(18)15-8-2-4-10(5-3-8)24(14,20)21/h2-5,7H,6H2,1H3,(H,15,18)(H2,14,20,21)(H,16,17,19).
What are the key properties of methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate?
methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 370.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).