1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

C15H13ClN2OS2 — CID 22474190

IUPAC1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCC(O)C1=C(c2cc(Cl)cc3sccc23)N2CCN=C2S1
InChIInChI=1S/C15H13ClN2OS2/c1-8(19)14-13(18-4-3-17-15(18)21-14)11-6-9(16)7-12-10(11)2-5-20-12/h2,5-8,19H,3-4H2,1H3
InChIKeyBQHMAUMTJKIIHQ-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.02
Rot. Bonds2

About 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 22474190) has the molecular formula C15H13ClN2OS2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID22474190
Molecular FormulaC15H13ClN2OS2
Molecular Weight336.87 g/mol
Exact Mass336.02
IUPAC Name1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCC(O)C1=C(c2cc(Cl)cc3sccc23)N2CCN=C2S1
InChIInChI=1S/C15H13ClN2OS2/c1-8(19)14-13(18-4-3-17-15(18)21-14)11-6-9(16)7-12-10(11)2-5-20-12/h2,5-8,19H,3-4H2,1H3
InChIKeyBQHMAUMTJKIIHQ-UHFFFAOYSA-N
XLogP4.02
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 22474190) is 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is CC(O)C1=C(c2cc(Cl)cc3sccc23)N2CCN=C2S1.
What is the InChIKey of 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is BQHMAUMTJKIIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS2/c1-8(19)14-13(18-4-3-17-15(18)21-14)11-6-9(16)7-12-10(11)2-5-20-12/h2,5-8,19H,3-4H2,1H3.
What are the key properties of 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 336.87 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-chloro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 22474190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).