N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

C17H19N3O3S2 — CID 167744619

IUPACN-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2c1CCCN2)C1CCCc2scnc21
InChIInChI=1S/C17H19N3O3S2/c21-17(12-4-1-7-14-16(12)19-10-24-14)20-25(22,23)15-8-2-6-13-11(15)5-3-9-18-13/h2,6,8,10,12,18H,1,3-5,7,9H2,(H,20,21)
InChIKeyOPVKMMXLGWPBQX-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.43
Rot. Bonds3

About N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (PubChem CID 167744619) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
PubChem CID167744619
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2c1CCCN2)C1CCCc2scnc21
InChIInChI=1S/C17H19N3O3S2/c21-17(12-4-1-7-14-16(12)19-10-24-14)20-25(22,23)15-8-2-6-13-11(15)5-3-9-18-13/h2,6,8,10,12,18H,1,3-5,7,9H2,(H,20,21)
InChIKeyOPVKMMXLGWPBQX-UHFFFAOYSA-N
XLogP2.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (CID 167744619) is N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is O=C(NS(=O)(=O)c1cccc2c1CCCN2)C1CCCc2scnc21.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The InChIKey is OPVKMMXLGWPBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c21-17(12-4-1-7-14-16(12)19-10-24-14)20-25(22,23)15-8-2-6-13-11(15)5-3-9-18-13/h2,6,8,10,12,18H,1,3-5,7,9H2,(H,20,21).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 167744619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).