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

C13H11ClN4O2S2 — CID 44544596

IUPAC6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ccc2c1)c1c(Cl)nc2n1CCS2
InChIInChI=1S/C13H11ClN4O2S2/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/h1-4,7,15,17H,5-6H2
InChIKeyMPCOIYCMHATPAS-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.92
Rot. Bonds3

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

6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 44544596) has the molecular formula C13H11ClN4O2S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID44544596
Molecular FormulaC13H11ClN4O2S2
Molecular Weight354.84 g/mol
Exact Mass354.00
IUPAC Name6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ccc2c1)c1c(Cl)nc2n1CCS2
InChIInChI=1S/C13H11ClN4O2S2/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/h1-4,7,15,17H,5-6H2
InChIKeyMPCOIYCMHATPAS-UHFFFAOYSA-N
XLogP2.92
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 44544596) is 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2[nH]ccc2c1)c1c(Cl)nc2n1CCS2.
What is the InChIKey of 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is MPCOIYCMHATPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S2/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/h1-4,7,15,17H,5-6H2.
What are the key properties of 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 354.84 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 44544596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).