1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea

C15H16N4S — CID 7933503

IUPAC1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1C)c1cccnc1
InChIInChI=1S/C15H16N4S/c1-11-6-3-4-8-14(11)17-15(20)19-18-12(2)13-7-5-9-16-10-13/h3-10H,1-2H3,(H2,17,19,20)/b18-12-
InChIKeyCNZQMLOPOSBDOY-PDGQHHTCSA-N
MW284.39 g/mol
LogP3.10
Rot. Bonds3

About 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea

1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea (PubChem CID 7933503) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
PubChem CID7933503
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1C)c1cccnc1
InChIInChI=1S/C15H16N4S/c1-11-6-3-4-8-14(11)17-15(20)19-18-12(2)13-7-5-9-16-10-13/h3-10H,1-2H3,(H2,17,19,20)/b18-12-
InChIKeyCNZQMLOPOSBDOY-PDGQHHTCSA-N
XLogP3.10
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.10
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-(2,3-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3919934
1-(4-propan-2-ylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
CID 7965693
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
CID 6035476
1-(2,4-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3666983
1-(2-methylphenyl)-3-[(E)-1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
CID 135770238
1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea
CID 7933526
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
1-[1-(4-chlorophenyl)ethylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 3274900
1-[(4-methoxyphenyl)methyl]-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
CID 9176321
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea (CID 7933503) is 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea is C/C(=N/NC(=S)Nc1ccccc1C)c1cccnc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea?
The InChIKey is CNZQMLOPOSBDOY-PDGQHHTCSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-6-3-4-8-14(11)17-15(20)19-18-12(2)13-7-5-9-16-10-13/h3-10H,1-2H3,(H2,17,19,20)/b18-12-.
What are the key properties of 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea?
1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea has a molecular weight of 284.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea is sourced from PubChem (CID 7933503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).