N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine

C19H17N3O2S2 — CID 54674134

IUPACN-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C19H17N3O2S2/c1-12(2)26(23,24)14-4-5-16-15(10-14)17(7-8-20-16)22-13-3-6-19-18(9-13)21-11-25-19/h3-12H,1-2H3,(H,20,22)
InChIKeyZCDBTQNFAPKACC-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.77
Rot. Bonds4

About N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine

N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 54674134) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID54674134
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C19H17N3O2S2/c1-12(2)26(23,24)14-4-5-16-15(10-14)17(7-8-20-16)22-13-3-6-19-18(9-13)21-11-25-19/h3-12H,1-2H3,(H,20,22)
InChIKeyZCDBTQNFAPKACC-UHFFFAOYSA-N
XLogP4.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine (CID 54674134) is N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine is CC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1.
What is the InChIKey of N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is ZCDBTQNFAPKACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-12(2)26(23,24)14-4-5-16-15(10-14)17(7-8-20-16)22-13-3-6-19-18(9-13)21-11-25-19/h3-12H,1-2H3,(H,20,22).
What are the key properties of N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine?
N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 383.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 54674134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).