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

C29H21N3OS — CID 108770511

IUPAC(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESO=C(Nc1cccc(-c2csc(-c3cccnc3)n2)c1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C29H21N3OS/c33-28(26(22-11-5-2-6-12-22)17-21-9-3-1-4-10-21)31-25-15-7-13-23(18-25)27-20-34-29(32-27)24-14-8-16-30-19-24/h1-20H,(H,31,33)/b26-17-
InChIKeyOAXKZMCUHCEMAW-ONUIUJJFSA-N
MW459.57 g/mol
LogP7.05
Rot. Bonds6

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

(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (PubChem CID 108770511) has the molecular formula C29H21N3OS and a molecular weight of 459.57 g/mol. Its IUPAC name is (Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
PubChem CID108770511
Molecular FormulaC29H21N3OS
Molecular Weight459.57 g/mol
Exact Mass459.14
IUPAC Name(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESO=C(Nc1cccc(-c2csc(-c3cccnc3)n2)c1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C29H21N3OS/c33-28(26(22-11-5-2-6-12-22)17-21-9-3-1-4-10-21)31-25-15-7-13-23(18-25)27-20-34-29(32-27)24-14-8-16-30-19-24/h1-20H,(H,31,33)/b26-17-
InChIKeyOAXKZMCUHCEMAW-ONUIUJJFSA-N
XLogP7.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 57.05
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

(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304
1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108784263
2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
CID 108770555
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751458
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748572
6-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108748545
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
(E)-3-(4-ethoxyphenyl)-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770515
(Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 108756812
6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779791
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (CID 108770511) is (Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is O=C(Nc1cccc(-c2csc(-c3cccnc3)n2)c1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The InChIKey is OAXKZMCUHCEMAW-ONUIUJJFSA-N. The full InChI is InChI=1S/C29H21N3OS/c33-28(26(22-11-5-2-6-12-22)17-21-9-3-1-4-10-21)31-25-15-7-13-23(18-25)27-20-34-29(32-27)24-14-8-16-30-19-24/h1-20H,(H,31,33)/b26-17-.
What are the key properties of (Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide has a molecular weight of 459.57 g/mol, XLogP of 7.05, 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-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 108770511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).