3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine

C17H15FN6S2 — CID 163565317

IUPAC3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine
SMILESCn1nc(-c2ccc(F)cc2)cc1Nc1csc(-c2cc(N)n(S)n2)c1
InChIInChI=1S/C17H15FN6S2/c1-23-17(8-13(21-23)10-2-4-11(18)5-3-10)20-12-6-15(26-9-12)14-7-16(19)24(25)22-14/h2-9,20,25H,19H2,1H3
InChIKeyFURMSKIUIIGWFJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.17
Rot. Bonds4

About 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine

3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine (PubChem CID 163565317) has the molecular formula C17H15FN6S2 and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine.

Molecular Properties

Compound Name3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine
PubChem CID163565317
Molecular FormulaC17H15FN6S2
Molecular Weight386.48 g/mol
Exact Mass386.08
IUPAC Name3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine
SMILESCn1nc(-c2ccc(F)cc2)cc1Nc1csc(-c2cc(N)n(S)n2)c1
InChIInChI=1S/C17H15FN6S2/c1-23-17(8-13(21-23)10-2-4-11(18)5-3-10)20-12-6-15(26-9-12)14-7-16(19)24(25)22-14/h2-9,20,25H,19H2,1H3
InChIKeyFURMSKIUIIGWFJ-UHFFFAOYSA-N
XLogP4.17
TPSA73.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine?
The IUPAC name of 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine (CID 163565317) is 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine.
What is the SMILES notation for 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine?
The canonical SMILES for 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine is Cn1nc(-c2ccc(F)cc2)cc1Nc1csc(-c2cc(N)n(S)n2)c1.
What is the InChIKey of 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine?
The InChIKey is FURMSKIUIIGWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6S2/c1-23-17(8-13(21-23)10-2-4-11(18)5-3-10)20-12-6-15(26-9-12)14-7-16(19)24(25)22-14/h2-9,20,25H,19H2,1H3.
What are the key properties of 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine?
3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine has a molecular weight of 386.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]thiophen-2-yl]-1-sulfanylpyrazol-5-amine is sourced from PubChem (CID 163565317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).