N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide

C12H13N3O2S2 — CID 140564681

IUPACN-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNC2)c1cncs1
InChIInChI=1S/C12H13N3O2S2/c16-19(17,12-7-14-8-18-12)15-11-2-1-10-6-13-4-3-9(10)5-11/h1-2,5,7-8,13,15H,3-4,6H2
InChIKeyVFRNPCSUHCKDCA-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.59
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide

N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 140564681) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide
PubChem CID140564681
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNC2)c1cncs1
InChIInChI=1S/C12H13N3O2S2/c16-19(17,12-7-14-8-18-12)15-11-2-1-10-6-13-4-3-9(10)5-11/h1-2,5,7-8,13,15H,3-4,6H2
InChIKeyVFRNPCSUHCKDCA-UHFFFAOYSA-N
XLogP1.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
CID 103415147
N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide
CID 140564679
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
N-(1H-indazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 140564692
N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
CID 67984145
N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
CID 91290520
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-3-sulfonamide
CID 63900723
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
CID 67984061
3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 63901960
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
CID 63902148

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide (CID 140564681) is N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)CCNC2)c1cncs1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is VFRNPCSUHCKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c16-19(17,12-7-14-8-18-12)15-11-2-1-10-6-13-4-3-9(10)5-11/h1-2,5,7-8,13,15H,3-4,6H2.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide?
N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 140564681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).