(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide

C24H19N3OS — CID 108770782

IUPAC(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESO=C(NCc1csc(-c2ccccn2)n1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N3OS/c28-23(26-16-20-17-29-24(27-20)22-13-7-8-14-25-22)21(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-15,17H,16H2,(H,26,28)/b21-15-
InChIKeyDVFQVNRDEVZTGY-QNGOZBTKSA-N
MW397.50 g/mol
LogP5.06
Rot. Bonds6

About (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide

(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide (PubChem CID 108770782) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
PubChem CID108770782
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESO=C(NCc1csc(-c2ccccn2)n1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N3OS/c28-23(26-16-20-17-29-24(27-20)22-13-7-8-14-25-22)21(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-15,17H,16H2,(H,26,28)/b21-15-
InChIKeyDVFQVNRDEVZTGY-QNGOZBTKSA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethoxyphenyl)-2-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770790
(E)-3-(4-ethoxyphenyl)-2-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108771112
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
(E)-3-(4-ethoxyphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylprop-2-enamide
CID 108760393
1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea
CID 108784318
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108748855
3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 115749394
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 108748806
2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770816

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide (CID 108770782) is (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide is O=C(NCc1csc(-c2ccccn2)n1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The InChIKey is DVFQVNRDEVZTGY-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H19N3OS/c28-23(26-16-20-17-29-24(27-20)22-13-7-8-14-25-22)21(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-15,17H,16H2,(H,26,28)/b21-15-.
What are the key properties of (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide has a molecular weight of 397.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 108770782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).