6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C18H17ClN4O2S2 — CID 46227396

IUPAC6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(C1CCNC1)=CC2)c1c(Cl)nc2sccn12
InChIInChI=1S/C18H17ClN4O2S2/c19-16-17(23-7-8-26-18(23)21-16)27(24,25)22-13-3-1-11-2-4-14(15(11)9-13)12-5-6-20-10-12/h1,3-4,7-9,12,20,22H,2,5-6,10H2
InChIKeyLDEQLBJRYFYFBT-UHFFFAOYSA-N
MW420.95 g/mol
LogP3.40
Rot. Bonds4

About 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 46227396) has the molecular formula C18H17ClN4O2S2 and a molecular weight of 420.95 g/mol. Its IUPAC name is 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID46227396
Molecular FormulaC18H17ClN4O2S2
Molecular Weight420.95 g/mol
Exact Mass420.05
IUPAC Name6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(C1CCNC1)=CC2)c1c(Cl)nc2sccn12
InChIInChI=1S/C18H17ClN4O2S2/c19-16-17(23-7-8-26-18(23)21-16)27(24,25)22-13-3-1-11-2-4-14(15(11)9-13)12-5-6-20-10-12/h1,3-4,7-9,12,20,22H,2,5-6,10H2
InChIKeyLDEQLBJRYFYFBT-UHFFFAOYSA-N
XLogP3.40
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 46227396) is 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)C(C1CCNC1)=CC2)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is LDEQLBJRYFYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S2/c19-16-17(23-7-8-26-18(23)21-16)27(24,25)22-13-3-1-11-2-4-14(15(11)9-13)12-5-6-20-10-12/h1,3-4,7-9,12,20,22H,2,5-6,10H2.
What are the key properties of 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 420.95 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-pyrrolidin-3-yl-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 46227396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).