(E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide

C20H16N4OS — CID 16751237

IUPAC(E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide
SMILESCc1cs/c(=N/NC(=O)/C(C#N)=C/c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C20H16N4OS/c1-15-14-26-20(24(15)18-10-6-3-7-11-18)23-22-19(25)17(13-21)12-16-8-4-2-5-9-16/h2-12,14H,1H3,(H,22,25)/b17-12+,23-20+
InChIKeyWCZRIBLZZGIWNH-RZPAUPBHSA-N
MW360.44 g/mol
LogP3.39
Rot. Bonds4

About (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide

(E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide (PubChem CID 16751237) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide
PubChem CID16751237
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name(E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide
SMILESCc1cs/c(=N/NC(=O)/C(C#N)=C/c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C20H16N4OS/c1-15-14-26-20(24(15)18-10-6-3-7-11-18)23-22-19(25)17(13-21)12-16-8-4-2-5-9-16/h2-12,14H,1H3,(H,22,25)/b17-12+,23-20+
InChIKeyWCZRIBLZZGIWNH-RZPAUPBHSA-N
XLogP3.39
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(4-phenylphenyl)-N-[(4-phenylphenyl)methylideneamino]prop-2-enamide
CID 4564654
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
CID 729380
2-cyano-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-phenylprop-2-enamide
CID 3302202
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
N-carbamoyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
CID 73380544
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
2-cyano-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 3473703
(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 19169428
(E)-2-cyano-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 126384231
3-(1-benzofuran-2-yl)-N-[(Z)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-1-phenylpyrazole-5-carboxamide
CID 45028469
(Z)-2-cyano-3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]prop-2-enoic acid
CID 177404494

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide (CID 16751237) is (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide is Cc1cs/c(=N/NC(=O)/C(C#N)=C/c2ccccc2)n1-c1ccccc1.
What is the InChIKey of (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide?
The InChIKey is WCZRIBLZZGIWNH-RZPAUPBHSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-15-14-26-20(24(15)18-10-6-3-7-11-18)23-22-19(25)17(13-21)12-16-8-4-2-5-9-16/h2-12,14H,1H3,(H,22,25)/b17-12+,23-20+.
What are the key properties of (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide?
(E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide has a molecular weight of 360.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-[(E)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]-3-phenylprop-2-enamide is sourced from PubChem (CID 16751237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).