(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol

C14H17FN4OS — CID 78951727

IUPAC(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2nnnn2C2CCCC2)c(F)c1
InChIInChI=1S/C14H17FN4OS/c1-9(20)10-6-7-13(12(15)8-10)21-14-16-17-18-19(14)11-4-2-3-5-11/h6-9,11,20H,2-5H2,1H3/t9-/m0/s1
InChIKeyFTWJKIWCDAROBI-VIFPVBQESA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds4

About (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol

(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol (PubChem CID 78951727) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
PubChem CID78951727
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2nnnn2C2CCCC2)c(F)c1
InChIInChI=1S/C14H17FN4OS/c1-9(20)10-6-7-13(12(15)8-10)21-14-16-17-18-19(14)11-4-2-3-5-11/h6-9,11,20H,2-5H2,1H3/t9-/m0/s1
InChIKeyFTWJKIWCDAROBI-VIFPVBQESA-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

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Related Compounds

(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 29276029
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
CID 63814144
(1S)-1-[3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938021
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorobenzoic acid
CID 79516180
(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938534
(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
CID 78951666
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)propan-1-one
CID 16570689
(1R)-1-[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431911
3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzaldehyde
CID 81160572
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 114893606
2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 63818266
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
CID 63668339

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol (CID 78951727) is (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol is C[C@H](O)c1ccc(Sc2nnnn2C2CCCC2)c(F)c1.
What is the InChIKey of (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol?
The InChIKey is FTWJKIWCDAROBI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-9(20)10-6-7-13(12(15)8-10)21-14-16-17-18-19(14)11-4-2-3-5-11/h6-9,11,20H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol?
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-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 (1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol is sourced from PubChem (CID 78951727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).