1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

C16H16N2O2S2 — CID 22473986

IUPAC1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCOc1cccc2cc(C3=C(C(C)O)SC4=NCCN43)sc12
InChIInChI=1S/C16H16N2O2S2/c1-9(19)14-13(18-7-6-17-16(18)22-14)12-8-10-4-3-5-11(20-2)15(10)21-12/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyCYCBBJMJWRWRQB-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 22473986) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID22473986
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCOc1cccc2cc(C3=C(C(C)O)SC4=NCCN43)sc12
InChIInChI=1S/C16H16N2O2S2/c1-9(19)14-13(18-7-6-17-16(18)22-14)12-8-10-4-3-5-11(20-2)15(10)21-12/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyCYCBBJMJWRWRQB-UHFFFAOYSA-N
XLogP3.38
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 22473986) is 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is COc1cccc2cc(C3=C(C(C)O)SC4=NCCN43)sc12.
What is the InChIKey of 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is CYCBBJMJWRWRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-9(19)14-13(18-7-6-17-16(18)22-14)12-8-10-4-3-5-11(20-2)15(10)21-12/h3-5,8-9,19H,6-7H2,1-2H3.
What are the key properties of 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 332.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methoxy-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 22473986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).