3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine

C16H10F2N6S — CID 58179891

IUPAC3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
SMILESNc1ncc(-c2ccsc2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C16H10F2N6S/c17-12-2-1-3-13(14(12)18)24-16(21-22-23-24)11-6-10(7-20-15(11)19)9-4-5-25-8-9/h1-8H,(H2,19,20)
InChIKeyPGBQSRJUXPLRFL-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.31
Rot. Bonds3

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine (PubChem CID 58179891) has the molecular formula C16H10F2N6S and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
PubChem CID58179891
Molecular FormulaC16H10F2N6S
Molecular Weight356.36 g/mol
Exact Mass356.07
IUPAC Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
SMILESNc1ncc(-c2ccsc2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C16H10F2N6S/c17-12-2-1-3-13(14(12)18)24-16(21-22-23-24)11-6-10(7-20-15(11)19)9-4-5-25-8-9/h1-8H,(H2,19,20)
InChIKeyPGBQSRJUXPLRFL-UHFFFAOYSA-N
XLogP3.31
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

carbon dioxide;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
CID 161196553
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine
CID 58179668
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine
CID 58179707
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 58180024
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine
CID 58180006
N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide
CID 58180071
1-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-3,3-dimethylazetidin-2-one
CID 58180007
N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide
CID 174678478
3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
CID 46198862
N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide
CID 58179659
1-[[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]methyl]pyrrolidin-3-ol
CID 66868230
1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]anilino]-3,3-dimethylbutan-1-ol
CID 143548758

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine (CID 58179891) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine is Nc1ncc(-c2ccsc2)cc1-c1nnnn1-c1cccc(F)c1F.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?
The InChIKey is PGBQSRJUXPLRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6S/c17-12-2-1-3-13(14(12)18)24-16(21-22-23-24)11-6-10(7-20-15(11)19)9-4-5-25-8-9/h1-8H,(H2,19,20).
What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine?
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine has a molecular weight of 356.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine is sourced from PubChem (CID 58179891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).