4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide

C15H19N3O2S2 — CID 177359956

IUPAC4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C2CCc3nc(N)sc3C2)cc1
InChIInChI=1S/C15H19N3O2S2/c1-2-17-22(19,20)12-6-3-10(4-7-12)11-5-8-13-14(9-11)21-15(16)18-13/h3-4,6-7,11,17H,2,5,8-9H2,1H3,(H2,16,18)
InChIKeyNWOAXGQLEZVFFV-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.30
Rot. Bonds4

About 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide

4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide (PubChem CID 177359956) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide
PubChem CID177359956
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C2CCc3nc(N)sc3C2)cc1
InChIInChI=1S/C15H19N3O2S2/c1-2-17-22(19,20)12-6-3-10(4-7-12)11-5-8-13-14(9-11)21-15(16)18-13/h3-4,6-7,11,17H,2,5,8-9H2,1H3,(H2,16,18)
InChIKeyNWOAXGQLEZVFFV-UHFFFAOYSA-N
XLogP2.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide with MolForge

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Related Compounds

6-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 82289305
6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 82294455
N-[5-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-pyridinyl]-2,2,2-trifluoroacetamide
CID 177360035
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
CID 75510344
4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-fluorobenzonitrile
CID 177360029
6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 82289303
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
ethyl 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CID 61385455
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide
CID 71460037
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 60596854
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 11615735
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide
CID 131853542

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide (CID 177359956) is 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(C2CCc3nc(N)sc3C2)cc1.
What is the InChIKey of 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide?
The InChIKey is NWOAXGQLEZVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-2-17-22(19,20)12-6-3-10(4-7-12)11-5-8-13-14(9-11)21-15(16)18-13/h3-4,6-7,11,17H,2,5,8-9H2,1H3,(H2,16,18).
What are the key properties of 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide?
4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 177359956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).