6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C15H15ClN4O2S2 — CID 24876852

IUPAC6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1
InChIInChI=1S/C15H15ClN4O2S2/c1-19-5-4-10-8-12(3-2-11(10)9-19)18-24(21,22)14-13(16)17-15-20(14)6-7-23-15/h2-3,6-8,18H,4-5,9H2,1H3
InChIKeyJTHNBBCQIUKFAP-UHFFFAOYSA-N
MW382.90 g/mol
LogP2.84
Rot. Bonds3

About 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 24876852) has the molecular formula C15H15ClN4O2S2 and a molecular weight of 382.90 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID24876852
Molecular FormulaC15H15ClN4O2S2
Molecular Weight382.90 g/mol
Exact Mass382.03
IUPAC Name6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1
InChIInChI=1S/C15H15ClN4O2S2/c1-19-5-4-10-8-12(3-2-11(10)9-19)18-24(21,22)14-13(16)17-15-20(14)6-7-23-15/h2-3,6-8,18H,4-5,9H2,1H3
InChIKeyJTHNBBCQIUKFAP-UHFFFAOYSA-N
XLogP2.84
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 24876852) is 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN1CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1.
What is the InChIKey of 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is JTHNBBCQIUKFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S2/c1-19-5-4-10-8-12(3-2-11(10)9-19)18-24(21,22)14-13(16)17-15-20(14)6-7-23-15/h2-3,6-8,18H,4-5,9H2,1H3.
What are the key properties of 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 382.90 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 24876852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).