[3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol

C15H14N2O2S2 — CID 142130944

IUPAC[3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESCSc1ccc(C2=C(CO)SC3=NCCN32)c2ccoc12
InChIInChI=1S/C15H14N2O2S2/c1-20-11-3-2-9(10-4-7-19-14(10)11)13-12(8-18)21-15-16-5-6-17(13)15/h2-4,7,18H,5-6,8H2,1H3
InChIKeyAPMIOSFUCAGUAD-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.23
Rot. Bonds3

About [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol

[3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (PubChem CID 142130944) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.

Molecular Properties

Compound Name[3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
PubChem CID142130944
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name[3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESCSc1ccc(C2=C(CO)SC3=NCCN32)c2ccoc12
InChIInChI=1S/C15H14N2O2S2/c1-20-11-3-2-9(10-4-7-19-14(10)11)13-12(8-18)21-15-16-5-6-17(13)15/h2-4,7,18H,5-6,8H2,1H3
InChIKeyAPMIOSFUCAGUAD-UHFFFAOYSA-N
XLogP3.23
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol with MolForge

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Related Compounds

[3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 142130965
2-ethyl-3-(7-methyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 142130957
3-(4-methyl-1-benzofuran-7-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 142130930
1-[3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 142131133
[3-(4-fluoro-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 142131045
[3-(6-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 22474175
[3-(7-fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 22473865
[3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 22474197
[3-(2-methyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 142131087
[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 22474216
[3-(1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 22473776
2-methylsulfanyl-3-(7-methylsulfanyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22474256

Frequently Asked Questions

What is the IUPAC name of [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The IUPAC name of [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (CID 142130944) is [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.
What is the SMILES notation for [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The canonical SMILES for [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is CSc1ccc(C2=C(CO)SC3=NCCN32)c2ccoc12.
What is the InChIKey of [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The InChIKey is APMIOSFUCAGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-20-11-3-2-9(10-4-7-19-14(10)11)13-12(8-18)21-15-16-5-6-17(13)15/h2-4,7,18H,5-6,8H2,1H3.
What are the key properties of [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
[3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol has a molecular weight of 318.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-methylsulfanyl-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is sourced from PubChem (CID 142130944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).