7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine

C18H17ClN4O2S3 — CID 11396830

IUPAC7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine
SMILESCN(C)C1CCc2ccc3c(ccn3S(=O)(=O)c3c(Cl)nc4sccn34)c2S1
InChIInChI=1S/C18H17ClN4O2S3/c1-21(2)14-6-4-11-3-5-13-12(15(11)27-14)7-8-23(13)28(24,25)17-16(19)20-18-22(17)9-10-26-18/h3,5,7-10,14H,4,6H2,1-2H3
InChIKeyCSGKFEDCGRFNFT-UHFFFAOYSA-N
MW453.01 g/mol
LogP4.17
Rot. Bonds3

About 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine

7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine (PubChem CID 11396830) has the molecular formula C18H17ClN4O2S3 and a molecular weight of 453.01 g/mol. Its IUPAC name is 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine.

Molecular Properties

Compound Name7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine
PubChem CID11396830
Molecular FormulaC18H17ClN4O2S3
Molecular Weight453.01 g/mol
Exact Mass452.02
IUPAC Name7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine
SMILESCN(C)C1CCc2ccc3c(ccn3S(=O)(=O)c3c(Cl)nc4sccn34)c2S1
InChIInChI=1S/C18H17ClN4O2S3/c1-21(2)14-6-4-11-3-5-13-12(15(11)27-14)7-8-23(13)28(24,25)17-16(19)20-18-22(17)9-10-26-18/h3,5,7-10,14H,4,6H2,1-2H3
InChIKeyCSGKFEDCGRFNFT-UHFFFAOYSA-N
XLogP4.17
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.01
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine with MolForge

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Related Compounds

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6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
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CID 61044840
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CID 23502991
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Frequently Asked Questions

What is the IUPAC name of 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine?
The IUPAC name of 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine (CID 11396830) is 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine.
What is the SMILES notation for 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine?
The canonical SMILES for 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine is CN(C)C1CCc2ccc3c(ccn3S(=O)(=O)c3c(Cl)nc4sccn34)c2S1.
What is the InChIKey of 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine?
The InChIKey is CSGKFEDCGRFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S3/c1-21(2)14-6-4-11-3-5-13-12(15(11)27-14)7-8-23(13)28(24,25)17-16(19)20-18-22(17)9-10-26-18/h3,5,7-10,14H,4,6H2,1-2H3.
What are the key properties of 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine?
7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine has a molecular weight of 453.01 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine is sourced from PubChem (CID 11396830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).