2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine

C12H14FN5S — CID 107524669

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine
SMILESNC(CSc1nnnn1C1CC1)c1cccc(F)c1
InChIInChI=1S/C12H14FN5S/c13-9-3-1-2-8(6-9)11(14)7-19-12-15-16-17-18(12)10-4-5-10/h1-3,6,10-11H,4-5,7,14H2
InChIKeyJTEWQSDCZMUDRL-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.94
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine (PubChem CID 107524669) has the molecular formula C12H14FN5S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine
PubChem CID107524669
Molecular FormulaC12H14FN5S
Molecular Weight279.34 g/mol
Exact Mass279.10
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine
SMILESNC(CSc1nnnn1C1CC1)c1cccc(F)c1
InChIInChI=1S/C12H14FN5S/c13-9-3-1-2-8(6-9)11(14)7-19-12-15-16-17-18(12)10-4-5-10/h1-3,6,10-11H,4-5,7,14H2
InChIKeyJTEWQSDCZMUDRL-UHFFFAOYSA-N
XLogP1.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,6-difluorophenyl)ethanol
CID 110897667
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 43231278
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-fluoroaniline
CID 43382263
5-(3-bromo-2-phenylpropyl)sulfanyl-1-cyclopropyltetrazole
CID 65016228
1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 71898278
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylpropanoic acid
CID 63098410
1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
CID 64649342
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
CID 47124307
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole
CID 47124353
1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 110897654
2-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64620794

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine (CID 107524669) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine is NC(CSc1nnnn1C1CC1)c1cccc(F)c1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The InChIKey is JTEWQSDCZMUDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5S/c13-9-3-1-2-8(6-9)11(14)7-19-12-15-16-17-18(12)10-4-5-10/h1-3,6,10-11H,4-5,7,14H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine has a molecular weight of 279.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 107524669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).