6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C20H15ClN4O2S2 — CID 22640489

IUPAC6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1c(Cl)nc2sccn12
InChIInChI=1S/C20H15ClN4O2S2/c21-18-19(25-11-12-28-20(25)23-18)29(26,27)24-15-7-5-14(6-8-15)17-16-4-2-1-3-13(16)9-10-22-17/h1-8,11-12,24H,9-10H2
InChIKeyLDCGBBARFTZZIT-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.24
Rot. Bonds4

About 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 22640489) has the molecular formula C20H15ClN4O2S2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID22640489
Molecular FormulaC20H15ClN4O2S2
Molecular Weight442.95 g/mol
Exact Mass442.03
IUPAC Name6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1c(Cl)nc2sccn12
InChIInChI=1S/C20H15ClN4O2S2/c21-18-19(25-11-12-28-20(25)23-18)29(26,27)24-15-7-5-14(6-8-15)17-16-4-2-1-3-13(16)9-10-22-17/h1-8,11-12,24H,9-10H2
InChIKeyLDCGBBARFTZZIT-UHFFFAOYSA-N
XLogP4.24
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-2,6-difluorobenzenesulfonamide
CID 22640501
3-(benzenesulfonyl)-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide
CID 22640453
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24876852
6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 167761968
N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65438087
N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 22640653
6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814471
6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812633
6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 16718922
6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24794433
6-chloro-N-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 22640489) is 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is LDCGBBARFTZZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S2/c21-18-19(25-11-12-28-20(25)23-18)29(26,27)24-15-7-5-14(6-8-15)17-16-4-2-1-3-13(16)9-10-22-17/h1-8,11-12,24H,9-10H2.
What are the key properties of 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 442.95 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 22640489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).