2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide

C13H12N4O2S2 — CID 63823461

IUPAC2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
SMILESNc1ccc2cc(S(=O)(=O)NCc3cscn3)ccc2n1
InChIInChI=1S/C13H12N4O2S2/c14-13-4-1-9-5-11(2-3-12(9)17-13)21(18,19)16-6-10-7-20-8-15-10/h1-5,7-8,16H,6H2,(H2,14,17)
InChIKeySNIYPVJXSWMUEO-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide

2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide (PubChem CID 63823461) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
PubChem CID63823461
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
SMILESNc1ccc2cc(S(=O)(=O)NCc3cscn3)ccc2n1
InChIInChI=1S/C13H12N4O2S2/c14-13-4-1-9-5-11(2-3-12(9)17-13)21(18,19)16-6-10-7-20-8-15-10/h1-5,7-8,16H,6H2,(H2,14,17)
InChIKeySNIYPVJXSWMUEO-UHFFFAOYSA-N
XLogP1.75
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 113288438
2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
CID 62143229
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 49458352
3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 82847839
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824191
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
CID 102700466
4-(cyanomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 79195968

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide (CID 63823461) is 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide is Nc1ccc2cc(S(=O)(=O)NCc3cscn3)ccc2n1.
What is the InChIKey of 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide?
The InChIKey is SNIYPVJXSWMUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c14-13-4-1-9-5-11(2-3-12(9)17-13)21(18,19)16-6-10-7-20-8-15-10/h1-5,7-8,16H,6H2,(H2,14,17).
What are the key properties of 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide?
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide has a molecular weight of 320.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 63823461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).