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

C15H14N2OS3 — CID 22474175

IUPAC[3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESCSc1cc(C2=C(CO)SC3=NCCN32)c2ccsc2c1
InChIInChI=1S/C15H14N2OS3/c1-19-9-6-11(10-2-5-20-12(10)7-9)14-13(8-18)21-15-16-3-4-17(14)15/h2,5-7,18H,3-4,8H2,1H3
InChIKeyYEHGROPUVZFPHT-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.70
Rot. Bonds3

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

[3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (PubChem CID 22474175) has the molecular formula C15H14N2OS3 and a molecular weight of 334.49 g/mol. Its IUPAC name is [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.

Molecular Properties

Compound Name[3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
PubChem CID22474175
Molecular FormulaC15H14N2OS3
Molecular Weight334.49 g/mol
Exact Mass334.03
IUPAC Name[3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESCSc1cc(C2=C(CO)SC3=NCCN32)c2ccsc2c1
InChIInChI=1S/C15H14N2OS3/c1-19-9-6-11(10-2-5-20-12(10)7-9)14-13(8-18)21-15-16-3-4-17(14)15/h2,5-7,18H,3-4,8H2,1H3
InChIKeyYEHGROPUVZFPHT-UHFFFAOYSA-N
XLogP3.70
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The IUPAC name of [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (CID 22474175) is [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.
What is the SMILES notation for [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The canonical SMILES for [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is CSc1cc(C2=C(CO)SC3=NCCN32)c2ccsc2c1.
What is the InChIKey of [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The InChIKey is YEHGROPUVZFPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS3/c1-19-9-6-11(10-2-5-20-12(10)7-9)14-13(8-18)21-15-16-3-4-17(14)15/h2,5-7,18H,3-4,8H2,1H3.
What are the key properties of [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
[3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol has a molecular weight of 334.49 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is sourced from PubChem (CID 22474175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).