(Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C21H16N4OS — CID 2173119

IUPAC(Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1nccs1
InChIInChI=1S/C21H16N4OS/c26-19(23-21-22-13-14-27-21)12-11-17-15-25(18-9-5-2-6-10-18)24-20(17)16-7-3-1-4-8-16/h1-15H,(H,22,23,26)/b12-11-
InChIKeyALBXJBTWBRBMQX-QXMHVHEDSA-N
MW372.45 g/mol
LogP4.65
Rot. Bonds5

About (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

(Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 2173119) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID2173119
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name(Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1nccs1
InChIInChI=1S/C21H16N4OS/c26-19(23-21-22-13-14-27-21)12-11-17-15-25(18-9-5-2-6-10-18)24-20(17)16-7-3-1-4-8-16/h1-15H,(H,22,23,26)/b12-11-
InChIKeyALBXJBTWBRBMQX-QXMHVHEDSA-N
XLogP4.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.65
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)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 2173119) is (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1nccs1.
What is the InChIKey of (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is ALBXJBTWBRBMQX-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-19(23-21-22-13-14-27-21)12-11-17-15-25(18-9-5-2-6-10-18)24-20(17)16-7-3-1-4-8-16/h1-15H,(H,22,23,26)/b12-11-.
What are the key properties of (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 372.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,3-diphenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2173119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).