[5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol

C17H19N3O2S — CID 70711085

IUPAC[5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nccn2CCc2nc3c(s2)CCCC3)o1
InChIInChI=1S/C17H19N3O2S/c21-11-12-5-6-14(22-12)17-18-8-10-20(17)9-7-16-19-13-3-1-2-4-15(13)23-16/h5-6,8,10,21H,1-4,7,9,11H2
InChIKeyBTGDXOGSIODQSQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.21
Rot. Bonds5

About [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol

[5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol (PubChem CID 70711085) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol
PubChem CID70711085
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name[5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nccn2CCc2nc3c(s2)CCCC3)o1
InChIInChI=1S/C17H19N3O2S/c21-11-12-5-6-14(22-12)17-18-8-10-20(17)9-7-16-19-13-3-1-2-4-15(13)23-16/h5-6,8,10,21H,1-4,7,9,11H2
InChIKeyBTGDXOGSIODQSQ-UHFFFAOYSA-N
XLogP3.21
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol (CID 70711085) is [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol is OCc1ccc(-c2nccn2CCc2nc3c(s2)CCCC3)o1.
What is the InChIKey of [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol?
The InChIKey is BTGDXOGSIODQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-11-12-5-6-14(22-12)17-18-8-10-20(17)9-7-16-19-13-3-1-2-4-15(13)23-16/h5-6,8,10,21H,1-4,7,9,11H2.
What are the key properties of [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol?
[5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol has a molecular weight of 329.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]imidazol-2-yl]furan-2-yl]methanol is sourced from PubChem (CID 70711085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).