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

C15H14N2O3S — CID 142130965

IUPAC[3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESCOc1ccc(C2=C(CO)SC3=NCCN32)c2ccoc12
InChIInChI=1S/C15H14N2O3S/c1-19-11-3-2-9(10-4-7-20-14(10)11)13-12(8-18)21-15-16-5-6-17(13)15/h2-4,7,18H,5-6,8H2,1H3
InChIKeyXTYLKZHZTXAVJR-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.52
Rot. Bonds3

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

[3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (PubChem CID 142130965) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is [3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.

Molecular Properties

Compound Name[3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
PubChem CID142130965
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name[3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESCOc1ccc(C2=C(CO)SC3=NCCN32)c2ccoc12
InChIInChI=1S/C15H14N2O3S/c1-19-11-3-2-9(10-4-7-20-14(10)11)13-12(8-18)21-15-16-5-6-17(13)15/h2-4,7,18H,5-6,8H2,1H3
InChIKeyXTYLKZHZTXAVJR-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The IUPAC name of [3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (CID 142130965) is [3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.
What is the SMILES notation for [3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The canonical SMILES for [3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is COc1ccc(C2=C(CO)SC3=NCCN32)c2ccoc12.
What is the InChIKey of [3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The InChIKey is XTYLKZHZTXAVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-19-11-3-2-9(10-4-7-20-14(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-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
[3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol has a molecular weight of 302.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is sourced from PubChem (CID 142130965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).