1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine

C17H12FN5S — CID 1474437

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine
SMILESNc1c(-c2ccccn2)cnn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H12FN5S/c18-12-6-4-11(5-7-12)15-10-24-17(22-15)23-16(19)13(9-21-23)14-3-1-2-8-20-14/h1-10H,19H2
InChIKeyKVLQFTROVUUAOF-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.78
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 1474437) has the molecular formula C17H12FN5S and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine
PubChem CID1474437
Molecular FormulaC17H12FN5S
Molecular Weight337.38 g/mol
Exact Mass337.08
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine
SMILESNc1c(-c2ccccn2)cnn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H12FN5S/c18-12-6-4-11(5-7-12)15-10-24-17(22-15)23-16(19)13(9-21-23)14-3-1-2-8-20-14/h1-10H,19H2
InChIKeyKVLQFTROVUUAOF-UHFFFAOYSA-N
XLogP3.78
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine (CID 1474437) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine is Nc1c(-c2ccccn2)cnn1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is KVLQFTROVUUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5S/c18-12-6-4-11(5-7-12)15-10-24-17(22-15)23-16(19)13(9-21-23)14-3-1-2-8-20-14/h1-10H,19H2.
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 337.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 1474437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).