6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride

C13H14Cl2N4O2S2 — CID 44544800

IUPAC6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc2c(c1)CCN2)c1c(Cl)nc2n1CCS2
InChIInChI=1S/C13H13ClN4O2S2.ClH/c14-11-12(18-5-6-21-13(18)16-11)22(19,20)17-9-1-2-10-8(7-9)3-4-15-10;/h1-2,7,15,17H,3-6H2;1H
InChIKeyHNPZNWXKNIYMRW-UHFFFAOYSA-N
MW393.32 g/mol
LogP2.83
Rot. Bonds3

About 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride

6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride (PubChem CID 44544800) has the molecular formula C13H14Cl2N4O2S2 and a molecular weight of 393.32 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride
PubChem CID44544800
Molecular FormulaC13H14Cl2N4O2S2
Molecular Weight393.32 g/mol
Exact Mass391.99
IUPAC Name6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc2c(c1)CCN2)c1c(Cl)nc2n1CCS2
InChIInChI=1S/C13H13ClN4O2S2.ClH/c14-11-12(18-5-6-21-13(18)16-11)22(19,20)17-9-1-2-10-8(7-9)3-4-15-10;/h1-2,7,15,17H,3-6H2;1H
InChIKeyHNPZNWXKNIYMRW-UHFFFAOYSA-N
XLogP2.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544699
6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544901
2,6-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604311
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
CID 43604283
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide
CID 79372870
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
CID 63242833
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252
2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 60824049
N-(2-methylpropylsulfamoyl)-2,3-dihydro-1H-indol-5-amine
CID 114815982
2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604300
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride (CID 44544800) is 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc2c(c1)CCN2)c1c(Cl)nc2n1CCS2.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride?
The InChIKey is HNPZNWXKNIYMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S2.ClH/c14-11-12(18-5-6-21-13(18)16-11)22(19,20)17-9-1-2-10-8(7-9)3-4-15-10;/h1-2,7,15,17H,3-6H2;1H.
What are the key properties of 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride?
6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride has a molecular weight of 393.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 44544800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).