2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide

C13H15N3O2S2 — CID 103415147

IUPAC2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-15-8-13(19-9)20(17,18)16-12-3-2-10-4-5-14-7-11(10)6-12/h2-3,6,8,14,16H,4-5,7H2,1H3
InChIKeyAXJYBNBOXSXEND-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide

2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 103415147) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
PubChem CID103415147
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-15-8-13(19-9)20(17,18)16-12-3-2-10-4-5-14-7-11(10)6-12/h2-3,6,8,14,16H,4-5,7H2,1H3
InChIKeyAXJYBNBOXSXEND-UHFFFAOYSA-N
XLogP1.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide (CID 103415147) is 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)s1.
What is the InChIKey of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is AXJYBNBOXSXEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-9-15-8-13(19-9)20(17,18)16-12-3-2-10-4-5-14-7-11(10)6-12/h2-3,6,8,14,16H,4-5,7H2,1H3.
What are the key properties of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide?
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 309.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).