4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine

C19H17N3S — CID 2875908

IUPAC4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
SMILESCC(C=Cc1ccccc1)=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3S/c1-15(12-13-16-8-4-2-5-9-16)21-22-19-20-18(14-23-19)17-10-6-3-7-11-17/h2-14H,1H3,(H,20,22)
InChIKeyIMFXLYJNUOEQPW-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.31
Rot. Bonds5

About 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine

4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine (PubChem CID 2875908) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
PubChem CID2875908
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
SMILESCC(C=Cc1ccccc1)=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3S/c1-15(12-13-16-8-4-2-5-9-16)21-22-19-20-18(14-23-19)17-10-6-3-7-11-17/h2-14H,1H3,(H,20,22)
InChIKeyIMFXLYJNUOEQPW-UHFFFAOYSA-N
XLogP5.31
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
CID 5027423
2-[(E)-C-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]benzene-1,3,5-triol
CID 136627447
N-[(Z)-[(E)-4-(2-fluorophenyl)but-3-en-2-ylidene]amino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 126059557
4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 43835823
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
(E)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-phenylprop-2-enamide;hydrochloride
CID 163326029
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
CID 59364038
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
CID 17163601
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine (CID 2875908) is 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine is CC(C=Cc1ccccc1)=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine?
The InChIKey is IMFXLYJNUOEQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-15(12-13-16-8-4-2-5-9-16)21-22-19-20-18(14-23-19)17-10-6-3-7-11-17/h2-14H,1H3,(H,20,22).
What are the key properties of 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine?
4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 2875908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).