1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol

C14H17BrN4OS — CID 71898278

IUPAC1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
SMILESOC(CSc1nnnn1C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN4OS/c15-11-5-3-4-10(8-11)13(20)9-21-14-16-17-18-19(14)12-6-1-2-7-12/h3-5,8,12-13,20H,1-2,6-7,9H2
InChIKeyQPYGMLHHLPBZHA-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.38
Rot. Bonds5

About 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol

1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol (PubChem CID 71898278) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
PubChem CID71898278
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
SMILESOC(CSc1nnnn1C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN4OS/c15-11-5-3-4-10(8-11)13(20)9-21-14-16-17-18-19(14)12-6-1-2-7-12/h3-5,8,12-13,20H,1-2,6-7,9H2
InChIKeyQPYGMLHHLPBZHA-UHFFFAOYSA-N
XLogP3.38
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-phenylethanol
CID 42919205
(1R)-1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
CID 108253995
1-[2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
CID 108253996
(1S)-1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
CID 108253997
2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 110883478
2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 110883489
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 110883495
2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol
CID 110884656
2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol
CID 110884908
2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanol
CID 110885227
2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanol
CID 110885230
1-(2-Fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
CID 110885764

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol (CID 71898278) is 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol is OC(CSc1nnnn1C1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The InChIKey is QPYGMLHHLPBZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c15-11-5-3-4-10(8-11)13(20)9-21-14-16-17-18-19(14)12-6-1-2-7-12/h3-5,8,12-13,20H,1-2,6-7,9H2.
What are the key properties of 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol has a molecular weight of 369.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol is sourced from PubChem (CID 71898278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).