7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C21H16FN7S — CID 146490615

IUPAC7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4nccs4)nc23)ccn1
InChIInChI=1S/C21H16FN7S/c1-12-10-14(6-7-24-12)18-19(13-2-4-15(22)5-3-13)27-21(23)29-20(18)26-16(28-29)11-17-25-8-9-30-17/h2-10H,11H2,1H3,(H2,23,27)
InChIKeyBINPGHNNTJJWJW-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.93
Rot. Bonds4

About 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490615) has the molecular formula C21H16FN7S and a molecular weight of 417.47 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490615
Molecular FormulaC21H16FN7S
Molecular Weight417.47 g/mol
Exact Mass417.12
IUPAC Name7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4nccs4)nc23)ccn1
InChIInChI=1S/C21H16FN7S/c1-12-10-14(6-7-24-12)18-19(13-2-4-15(22)5-3-13)27-21(23)29-20(18)26-16(28-29)11-17-25-8-9-30-17/h2-10H,11H2,1H3,(H2,23,27)
InChIKeyBINPGHNNTJJWJW-UHFFFAOYSA-N
XLogP3.93
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490615) is 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4nccs4)nc23)ccn1.
What is the InChIKey of 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is BINPGHNNTJJWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7S/c1-12-10-14(6-7-24-12)18-19(13-2-4-15(22)5-3-13)27-21(23)29-20(18)26-16(28-29)11-17-25-8-9-30-17/h2-10H,11H2,1H3,(H2,23,27).
What are the key properties of 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 417.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).