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

C16H11FN4S2 — CID 1474408

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
SMILESNc1c(-c2cccs2)cnn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H11FN4S2/c17-11-5-3-10(4-6-11)13-9-23-16(20-13)21-15(18)12(8-19-21)14-2-1-7-22-14/h1-9H,18H2
InChIKeyFQJNMUIRHGOAFE-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.45
Rot. Bonds3

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

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 1474408) has the molecular formula C16H11FN4S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
PubChem CID1474408
Molecular FormulaC16H11FN4S2
Molecular Weight342.42 g/mol
Exact Mass342.04
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
SMILESNc1c(-c2cccs2)cnn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H11FN4S2/c17-11-5-3-10(4-6-11)13-9-23-16(20-13)21-15(18)12(8-19-21)14-2-1-7-22-14/h1-9H,18H2
InChIKeyFQJNMUIRHGOAFE-UHFFFAOYSA-N
XLogP4.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.45
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-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine (CID 1474408) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine is Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is FQJNMUIRHGOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S2/c17-11-5-3-10(4-6-11)13-9-23-16(20-13)21-15(18)12(8-19-21)14-2-1-7-22-14/h1-9H,18H2.
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 342.42 g/mol, XLogP of 4.45, 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-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 1474408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).