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

C15H14N2OS2 — CID 22474197

IUPAC[3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESCc1ccc(C2=C(CO)SC3=NCCN32)c2ccsc12
InChIInChI=1S/C15H14N2OS2/c1-9-2-3-10(11-4-7-19-14(9)11)13-12(8-18)20-15-16-5-6-17(13)15/h2-4,7,18H,5-6,8H2,1H3
InChIKeySNXIBZXZVFYYRI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.29
Rot. Bonds2

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

[3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (PubChem CID 22474197) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.

Molecular Properties

Compound Name[3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
PubChem CID22474197
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name[3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESCc1ccc(C2=C(CO)SC3=NCCN32)c2ccsc12
InChIInChI=1S/C15H14N2OS2/c1-9-2-3-10(11-4-7-19-14(9)11)13-12(8-18)20-15-16-5-6-17(13)15/h2-4,7,18H,5-6,8H2,1H3
InChIKeySNXIBZXZVFYYRI-UHFFFAOYSA-N
XLogP3.29
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The IUPAC name of [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (CID 22474197) is [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.
What is the SMILES notation for [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The canonical SMILES for [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is Cc1ccc(C2=C(CO)SC3=NCCN32)c2ccsc12.
What is the InChIKey of [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The InChIKey is SNXIBZXZVFYYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-9-2-3-10(11-4-7-19-14(9)11)13-12(8-18)20-15-16-5-6-17(13)15/h2-4,7,18H,5-6,8H2,1H3.
What are the key properties of [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
[3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol has a molecular weight of 302.42 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is sourced from PubChem (CID 22474197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).