3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C14H11ClN2S3 — CID 22474075

IUPAC3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCSC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1
InChIInChI=1S/C14H11ClN2S3/c1-18-13-11(17-6-5-16-14(17)20-13)10-7-8-3-2-4-9(15)12(8)19-10/h2-4,7H,5-6H2,1H3
InChIKeyBENUDVBLBPFRMI-UHFFFAOYSA-N
MW338.91 g/mol
LogP4.96
Rot. Bonds2

About 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22474075) has the molecular formula C14H11ClN2S3 and a molecular weight of 338.91 g/mol. Its IUPAC name is 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22474075
Molecular FormulaC14H11ClN2S3
Molecular Weight338.91 g/mol
Exact Mass337.98
IUPAC Name3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCSC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1
InChIInChI=1S/C14H11ClN2S3/c1-18-13-11(17-6-5-16-14(17)20-13)10-7-8-3-2-4-9(15)12(8)19-10/h2-4,7H,5-6H2,1H3
InChIKeyBENUDVBLBPFRMI-UHFFFAOYSA-N
XLogP4.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22474075) is 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CSC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1.
What is the InChIKey of 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is BENUDVBLBPFRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S3/c1-18-13-11(17-6-5-16-14(17)20-13)10-7-8-3-2-4-9(15)12(8)19-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 338.91 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22474075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).