[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea

C20H17N3S — CID 54769187

IUPAC[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C(/C=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H17N3S/c21-20(24)23-22-19(17-8-2-1-3-9-17)14-13-16-11-6-10-15-7-4-5-12-18(15)16/h1-14H,(H3,21,23,24)/b14-13+,22-19-
InChIKeyNDBMDZDTZIULHW-GRHKGXKOSA-N
MW331.44 g/mol
LogP4.09
Rot. Bonds4

About [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea

[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea (PubChem CID 54769187) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea
PubChem CID54769187
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C(/C=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H17N3S/c21-20(24)23-22-19(17-8-2-1-3-9-17)14-13-16-11-6-10-15-7-4-5-12-18(15)16/h1-14H,(H3,21,23,24)/b14-13+,22-19-
InChIKeyNDBMDZDTZIULHW-GRHKGXKOSA-N
XLogP4.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-Naphthaldehyde thiosemicarbazone
CID 5331443
Carbonothioic dihydrazide, di-2(1H)-naphthalenylidene-
CID 5484360
9-Anthracenecarbaldehyde thiosemicarbazone
CID 5390233
(2E)-2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinecarbothioamide
CID 5465590
1,3-bis(1H-naphthalen-2-ylideneamino)thiourea
CID 3034571
Di-2-naphthylthiocarbazone
CID 9576156
[2-Phenylacetophenone]thiosemicarbazone
CID 52945875
(E)-2-(Pyren-1-ylmethylene)hydrazine-1-carbothioamide (2)
CID 126842657
1,3-Diphenylacetone thiosemicarbazone
CID 5001827
(1e,2e)-3-(Phenyl)-1-phenylprop-2-en-1-one thiosemicarbazone
CID 14699873
[(Z)-[1-(3-fluorophenyl)-3-phenylpropylidene]amino]thiourea
CID 44449893
[(Z)-1,3-diphenylpropylideneamino]thiourea
CID 44449925

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea?
The IUPAC name of [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea (CID 54769187) is [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea is NC(=S)N/N=C(/C=C/c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea?
The InChIKey is NDBMDZDTZIULHW-GRHKGXKOSA-N. The full InChI is InChI=1S/C20H17N3S/c21-20(24)23-22-19(17-8-2-1-3-9-17)14-13-16-11-6-10-15-7-4-5-12-18(15)16/h1-14H,(H3,21,23,24)/b14-13+,22-19-.
What are the key properties of [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea?
[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea has a molecular weight of 331.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]thiourea is sourced from PubChem (CID 54769187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).