1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea

C15H17N3OS — CID 139086714

IUPAC1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea
SMILESCCNC(=S)N/N=C(/C)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H17N3OS/c1-3-16-15(20)18-17-10(2)14-12-7-5-4-6-11(12)8-9-13(14)19/h4-9,19H,3H2,1-2H3,(H2,16,18,20)/b17-10-
InChIKeyRJBRFUREIVBTRS-YVLHZVERSA-N
MW287.39 g/mol
LogP2.75
Rot. Bonds3

About 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea

1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea (PubChem CID 139086714) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea
PubChem CID139086714
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea
SMILESCCNC(=S)N/N=C(/C)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H17N3OS/c1-3-16-15(20)18-17-10(2)14-12-7-5-4-6-11(12)8-9-13(14)19/h4-9,19H,3H2,1-2H3,(H2,16,18,20)/b17-10-
InChIKeyRJBRFUREIVBTRS-YVLHZVERSA-N
XLogP2.75
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-Hydroxy-1-naphthaldehyde thiosemicarbazone
CID 135400403
2-Hydroxy-1-naphthaldehyde N-ethylthiosemicarbazone
CID 135493221
(E)-2-((2-Hydroxynaphthalen-1-yl)methylene)-N,N-dimethylhydrazine-1-carbothioamide
CID 135482104
1-[(4-Methylthiosemicarbazono)methyl]-2-naphthol
CID 135506505
1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylthiourea
CID 135546592
1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-prop-2-enylthiourea
CID 135615739
1-{[(3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}-2-naphthol
CID 135490168
1-{[(3-ethyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-2-naphthol
CID 135495594
4-amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 135436158
1-tert-butyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiourea
CID 135445527
1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol
CID 135676008
2-Hydroxynaphthaldehyd-thiosemicarbazon
CID 690751

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea?
The IUPAC name of 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea (CID 139086714) is 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea?
The canonical SMILES for 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea is CCNC(=S)N/N=C(/C)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea?
The InChIKey is RJBRFUREIVBTRS-YVLHZVERSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-16-15(20)18-17-10(2)14-12-7-5-4-6-11(12)8-9-13(14)19/h4-9,19H,3H2,1-2H3,(H2,16,18,20)/b17-10-.
What are the key properties of 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea?
1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea has a molecular weight of 287.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]thiourea is sourced from PubChem (CID 139086714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).