1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea

C23H26N4S — CID 3005111

IUPAC1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea
SMILESCCC(C=Cc1ccccc1)=NNC(=S)NN=C(C=Cc1ccccc1)CC
InChIInChI=1S/C23H26N4S/c1-3-21(17-15-19-11-7-5-8-12-19)24-26-23(28)27-25-22(4-2)18-16-20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3,(H2,26,27,28)
InChIKeySJZONJBEAGQWKJ-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.41
Rot. Bonds8

About 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea

1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea (PubChem CID 3005111) has the molecular formula C23H26N4S and a molecular weight of 390.56 g/mol. Its IUPAC name is 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea.

Molecular Properties

Compound Name1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea
PubChem CID3005111
Molecular FormulaC23H26N4S
Molecular Weight390.56 g/mol
Exact Mass390.19
IUPAC Name1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea
SMILESCCC(C=Cc1ccccc1)=NNC(=S)NN=C(C=Cc1ccccc1)CC
InChIInChI=1S/C23H26N4S/c1-3-21(17-15-19-11-7-5-8-12-19)24-26-23(28)27-25-22(4-2)18-16-20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3,(H2,26,27,28)
InChIKeySJZONJBEAGQWKJ-UHFFFAOYSA-N
XLogP5.41
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92529506
1-methyl-3-(4-phenylbut-3-en-2-ylideneamino)thiourea
CID 4989240
N-(2-phenylethenyl)propanethioamide
CID 118578613
1-ethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 6247630
[(1E,3E)-2-ethyl-4-phenylbuta-1,3-dienyl]-trimethylsilane
CID 10036853
1-[(E)-benzylideneamino]-3-hydroxythiourea
CID 16729007
methyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
CID 826517
1-(3-chloro-2-methylphenyl)-3-(4-phenylbut-3-en-2-ylideneamino)thiourea
CID 4230604
1-(3-chloro-2-methylphenyl)-3-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea
CID 6043094
N-[(Z)-[(Z)-5-(dimethylamino)-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92530730
1-(2-methylphenyl)-3-[[(Z)-3-phenylprop-2-enylidene]amino]thiourea
CID 129432045

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea?
The IUPAC name of 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea (CID 3005111) is 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea.
What is the SMILES notation for 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea?
The canonical SMILES for 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea is CCC(C=Cc1ccccc1)=NNC(=S)NN=C(C=Cc1ccccc1)CC.
What is the InChIKey of 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea?
The InChIKey is SJZONJBEAGQWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4S/c1-3-21(17-15-19-11-7-5-8-12-19)24-26-23(28)27-25-22(4-2)18-16-20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3,(H2,26,27,28).
What are the key properties of 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea?
1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea has a molecular weight of 390.56 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-phenylpent-1-en-3-ylideneamino)thiourea is sourced from PubChem (CID 3005111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).