(Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide

C17H15FN4OS — CID 25281846

IUPAC(Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide
SMILESC/C=C\C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H15FN4OS/c1-3-4-16(23)20-15-9-11(2)21-22(15)17-19-14(10-24-17)12-5-7-13(18)8-6-12/h3-10H,1-2H3,(H,20,23)/b4-3-
InChIKeyNGKTZFRAQCKUSH-ARJAWSKDSA-N
MW342.40 g/mol
LogP3.96
Rot. Bonds4

About (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide

(Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide (PubChem CID 25281846) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide
PubChem CID25281846
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name(Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide
SMILESC/C=C\C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H15FN4OS/c1-3-4-16(23)20-15-9-11(2)21-22(15)17-19-14(10-24-17)12-5-7-13(18)8-6-12/h3-10H,1-2H3,(H,20,23)/b4-3-
InChIKeyNGKTZFRAQCKUSH-ARJAWSKDSA-N
XLogP3.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide?
The IUPAC name of (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide (CID 25281846) is (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide.
What is the SMILES notation for (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide?
The canonical SMILES for (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide is C/C=C\C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide?
The InChIKey is NGKTZFRAQCKUSH-ARJAWSKDSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-3-4-16(23)20-15-9-11(2)21-22(15)17-19-14(10-24-17)12-5-7-13(18)8-6-12/h3-10H,1-2H3,(H,20,23)/b4-3-.
What are the key properties of (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide?
(Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]but-2-enamide is sourced from PubChem (CID 25281846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).