1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea

C16H16N4S — CID 6512939

IUPAC1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea
SMILESS=C(N/N=C1/CCCc2ccccc21)Nc1cccnc1
InChIInChI=1S/C16H16N4S/c21-16(18-13-7-4-10-17-11-13)20-19-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H2,18,20,21)/b19-15-
InChIKeyIUJWFZXSJWKZGC-CYVLTUHYSA-N
MW296.40 g/mol
LogP3.11
Rot. Bonds2

About 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea

1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea (PubChem CID 6512939) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea
PubChem CID6512939
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea
SMILESS=C(N/N=C1/CCCc2ccccc21)Nc1cccnc1
InChIInChI=1S/C16H16N4S/c21-16(18-13-7-4-10-17-11-13)20-19-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H2,18,20,21)/b19-15-
InChIKeyIUJWFZXSJWKZGC-CYVLTUHYSA-N
XLogP3.11
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.11
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-[(Z)-2,3-dihydro-1H-1,5-naphthyridin-4-ylideneamino]-3-pyridin-3-ylthiourea
CID 137033810
1-(2-methylphenyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
CID 7933475
1-(2,5-dimethylphenyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
CID 6246151
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(2,6-dimethylphenyl)thiourea
CID 7930495
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
N-pyridin-3-ylcyclopentanecarbothioamide
CID 88634071
1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 7934193
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-ethylthiourea
CID 6284692
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(2,5-dimethylphenyl)thiourea
CID 6076216
1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea
CID 126555938
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
CID 168874969
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea?
The IUPAC name of 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea (CID 6512939) is 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea is S=C(N/N=C1/CCCc2ccccc21)Nc1cccnc1.
What is the InChIKey of 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea?
The InChIKey is IUJWFZXSJWKZGC-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H16N4S/c21-16(18-13-7-4-10-17-11-13)20-19-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H2,18,20,21)/b19-15-.
What are the key properties of 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea?
1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea has a molecular weight of 296.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea is sourced from PubChem (CID 6512939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).