1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol

C14H17FN4OS — CID 63814144

IUPAC1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C14H17FN4OS/c1-9(20)13-11(15)7-4-8-12(13)21-14-16-17-18-19(14)10-5-2-3-6-10/h4,7-10,20H,2-3,5-6H2,1H3
InChIKeyOUPRRERAVBFUNX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol

1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol (PubChem CID 63814144) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
PubChem CID63814144
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C14H17FN4OS/c1-9(20)13-11(15)7-4-8-12(13)21-14-16-17-18-19(14)10-5-2-3-6-10/h4,7-10,20H,2-3,5-6H2,1H3
InChIKeyOUPRRERAVBFUNX-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorobenzoic acid
CID 79516180
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
CID 78951727
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 29276029
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,6-difluorophenyl)ethanol
CID 110897667
2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 63818266
1-[2-fluoro-6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)phenyl]ethanol
CID 63814142
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
(1S)-1-[3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938021
(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol
CID 114057132
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)propan-1-one
CID 16570689
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol (CID 63814144) is 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol is CC(O)c1c(F)cccc1Sc1nnnn1C1CCCC1.
What is the InChIKey of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol?
The InChIKey is OUPRRERAVBFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-9(20)13-11(15)7-4-8-12(13)21-14-16-17-18-19(14)10-5-2-3-6-10/h4,7-10,20H,2-3,5-6H2,1H3.
What are the key properties of 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol?
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol has a molecular weight of 308.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol is sourced from PubChem (CID 63814144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).