3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C15H13N5O3S2 — CID 71662403

IUPAC3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2cccc(S(N)(=O)=O)c2)sc1C(=O)c1cccnc1
InChIInChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-3-2-6-18-8-9)24-15(20-14)19-10-4-1-5-11(7-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23)
InChIKeyMLZPEXJIHRPDCE-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.74
Rot. Bonds5

About 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 71662403) has the molecular formula C15H13N5O3S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID71662403
Molecular FormulaC15H13N5O3S2
Molecular Weight375.44 g/mol
Exact Mass375.05
IUPAC Name3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2cccc(S(N)(=O)=O)c2)sc1C(=O)c1cccnc1
InChIInChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-3-2-6-18-8-9)24-15(20-14)19-10-4-1-5-11(7-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23)
InChIKeyMLZPEXJIHRPDCE-UHFFFAOYSA-N
XLogP1.74
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 71662403) is 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Nc1nc(Nc2cccc(S(N)(=O)=O)c2)sc1C(=O)c1cccnc1.
What is the InChIKey of 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is MLZPEXJIHRPDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-3-2-6-18-8-9)24-15(20-14)19-10-4-1-5-11(7-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23).
What are the key properties of 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 375.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 71662403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).