6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C14H12ClN3O3S2 — CID 44544699

IUPAC6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=C1CCc2ccc(NS(=O)(=O)c3c(Cl)nc4n3CCS4)cc21
InChIInChI=1S/C14H12ClN3O3S2/c15-12-13(18-5-6-22-14(18)16-12)23(20,21)17-9-3-1-8-2-4-11(19)10(8)7-9/h1,3,7,17H,2,4-6H2
InChIKeyDXOUSLYHOCIUKV-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.57
Rot. Bonds3

About 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 44544699) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID44544699
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC Name6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=C1CCc2ccc(NS(=O)(=O)c3c(Cl)nc4n3CCS4)cc21
InChIInChI=1S/C14H12ClN3O3S2/c15-12-13(18-5-6-22-14(18)16-12)23(20,21)17-9-3-1-8-2-4-11(19)10(8)7-9/h1,3,7,17H,2,4-6H2
InChIKeyDXOUSLYHOCIUKV-UHFFFAOYSA-N
XLogP2.57
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride
CID 44544800
6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544901
6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544995
N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544992
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24876852
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
CID 14985976
6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 16718922
2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427635
6-chloro-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 22640489
6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one
CID 69203750
6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 11408954
2,5-dichloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427465

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 44544699) is 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=C1CCc2ccc(NS(=O)(=O)c3c(Cl)nc4n3CCS4)cc21.
What is the InChIKey of 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DXOUSLYHOCIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c15-12-13(18-5-6-22-14(18)16-12)23(20,21)17-9-3-1-8-2-4-11(19)10(8)7-9/h1,3,7,17H,2,4-6H2.
What are the key properties of 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 369.86 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 44544699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).