2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol

C18H25N3O2S — CID 154760974

IUPAC2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol
SMILESOCCC1(NCc2nnc(-c3cc4c(s3)CCCC4)o2)CCCC1
InChIInChI=1S/C18H25N3O2S/c22-10-9-18(7-3-4-8-18)19-12-16-20-21-17(23-16)15-11-13-5-1-2-6-14(13)24-15/h11,19,22H,1-10,12H2
InChIKeyNUXCODBSMOIGEH-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.46
Rot. Bonds6

About 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol

2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol (PubChem CID 154760974) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol
PubChem CID154760974
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol
SMILESOCCC1(NCc2nnc(-c3cc4c(s3)CCCC4)o2)CCCC1
InChIInChI=1S/C18H25N3O2S/c22-10-9-18(7-3-4-8-18)19-12-16-20-21-17(23-16)15-11-13-5-1-2-6-14(13)24-15/h11,19,22H,1-10,12H2
InChIKeyNUXCODBSMOIGEH-UHFFFAOYSA-N
XLogP3.46
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol with MolForge

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Related Compounds

N-methyl-3-[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55039601
[1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol
CID 126793231
2-methyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohexan-1-amine
CID 112796604
N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine
CID 126776149
N-propyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 112799683
3-methyl-1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidine-3-carbonitrile
CID 122150160
3-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-ol
CID 126785959
4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-thiazinane 1-oxide
CID 86792707
N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine
CID 75507569
methyl 2-methyl-5-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]furan-3-carboxylate
CID 112803345
2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
CID 112770375
2-(1-bromopropyl)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3,4-oxadiazole
CID 62854381

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol?
The IUPAC name of 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol (CID 154760974) is 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol?
The canonical SMILES for 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol is OCCC1(NCc2nnc(-c3cc4c(s3)CCCC4)o2)CCCC1.
What is the InChIKey of 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol?
The InChIKey is NUXCODBSMOIGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-10-9-18(7-3-4-8-18)19-12-16-20-21-17(23-16)15-11-13-5-1-2-6-14(13)24-15/h11,19,22H,1-10,12H2.
What are the key properties of 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol?
2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol has a molecular weight of 347.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]cyclopentyl]ethanol is sourced from PubChem (CID 154760974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).