6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C14H11ClN4O2S2 — CID 44544901

IUPAC6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2cnccc2c1)c1c(Cl)nc2n1CCS2
InChIInChI=1S/C14H11ClN4O2S2/c15-12-13(19-5-6-22-14(19)17-12)23(20,21)18-11-2-1-10-8-16-4-3-9(10)7-11/h1-4,7-8,18H,5-6H2
InChIKeySLIGTCUBCQDNDH-UHFFFAOYSA-N
MW366.86 g/mol
LogP2.99
Rot. Bonds3

About 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 44544901) has the molecular formula C14H11ClN4O2S2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID44544901
Molecular FormulaC14H11ClN4O2S2
Molecular Weight366.86 g/mol
Exact Mass366.00
IUPAC Name6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2cnccc2c1)c1c(Cl)nc2n1CCS2
InChIInChI=1S/C14H11ClN4O2S2/c15-12-13(19-5-6-22-14(19)17-12)23(20,21)18-11-2-1-10-8-16-4-3-9(10)7-11/h1-4,7-8,18H,5-6H2
InChIKeySLIGTCUBCQDNDH-UHFFFAOYSA-N
XLogP2.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 44544901) is 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2cnccc2c1)c1c(Cl)nc2n1CCS2.
What is the InChIKey of 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is SLIGTCUBCQDNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S2/c15-12-13(19-5-6-22-14(19)17-12)23(20,21)18-11-2-1-10-8-16-4-3-9(10)7-11/h1-4,7-8,18H,5-6H2.
What are the key properties of 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 366.86 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 44544901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).