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

C14H11ClN2S2 — CID 22473836

IUPAC3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1
InChIInChI=1S/C14H11ClN2S2/c1-8-12(17-6-5-16-14(17)18-8)11-7-9-3-2-4-10(15)13(9)19-11/h2-4,7H,5-6H2,1H3
InChIKeyLIMDNDNWWPZZKD-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.66
Rot. Bonds1

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

3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473836) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473836
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC Name3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1
InChIInChI=1S/C14H11ClN2S2/c1-8-12(17-6-5-16-14(17)18-8)11-7-9-3-2-4-10(15)13(9)19-11/h2-4,7H,5-6H2,1H3
InChIKeyLIMDNDNWWPZZKD-UHFFFAOYSA-N
XLogP4.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473836) is 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1.
What is the InChIKey of 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is LIMDNDNWWPZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c1-8-12(17-6-5-16-14(17)18-8)11-7-9-3-2-4-10(15)13(9)19-11/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 306.84 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).