N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C17H15N5O4S2 — CID 171651511

IUPACN-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H15N5O4S2/c18-28(25,26)13-5-1-4-12(7-13)21-15(23)9-20-16(24)14-10-27-17(22-14)11-3-2-6-19-8-11/h1-8,10H,9H2,(H,20,24)(H,21,23)(H2,18,25,26)
InChIKeyYAYNIOUCOMZLPC-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.22
Rot. Bonds6

About N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 171651511) has the molecular formula C17H15N5O4S2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID171651511
Molecular FormulaC17H15N5O4S2
Molecular Weight417.47 g/mol
Exact Mass417.06
IUPAC NameN-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H15N5O4S2/c18-28(25,26)13-5-1-4-12(7-13)21-15(23)9-20-16(24)14-10-27-17(22-14)11-3-2-6-19-8-11/h1-8,10H,9H2,(H,20,24)(H,21,23)(H2,18,25,26)
InChIKeyYAYNIOUCOMZLPC-UHFFFAOYSA-N
XLogP1.22
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 171651511) is N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is NS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2csc(-c3cccnc3)n2)c1.
What is the InChIKey of N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YAYNIOUCOMZLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S2/c18-28(25,26)13-5-1-4-12(7-13)21-15(23)9-20-16(24)14-10-27-17(22-14)11-3-2-6-19-8-11/h1-8,10H,9H2,(H,20,24)(H,21,23)(H2,18,25,26).
What are the key properties of N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171651511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).