1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea

C15H16N4S — CID 6145409

IUPAC1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea
SMILESCNC(=S)N/N=C\c1nccc(-c2ccccc2)c1C
InChIInChI=1S/C15H16N4S/c1-11-13(12-6-4-3-5-7-12)8-9-17-14(11)10-18-19-15(20)16-2/h3-10H,1-2H3,(H2,16,19,20)/b18-10-
InChIKeyMXPFDRYYECUYSO-ZDLGFXPLSA-N
MW284.39 g/mol
LogP2.48
Rot. Bonds3

About 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea

1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea (PubChem CID 6145409) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea
PubChem CID6145409
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea
SMILESCNC(=S)N/N=C\c1nccc(-c2ccccc2)c1C
InChIInChI=1S/C15H16N4S/c1-11-13(12-6-4-3-5-7-12)8-9-17-14(11)10-18-19-15(20)16-2/h3-10H,1-2H3,(H2,16,19,20)/b18-10-
InChIKeyMXPFDRYYECUYSO-ZDLGFXPLSA-N
XLogP2.48
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 ≤ 52.48
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-[4-(dimethylamino)phenyl]-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea
CID 6091029
1-[(E)-(6-fluoroisoquinolin-1-yl)methylideneamino]-3-methylthiourea
CID 154693210
1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea
CID 4109336
1-methyl-3-[(E)-[3-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6903322
1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
1-methyl-3-[(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4159494
1-methyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7575217
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methylthiourea
CID 6902921
[(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea
CID 3035749
1-methyl-3-[(E)-1H-pyrrol-2-ylmethylideneamino]thiourea
CID 137156420
1-[(4-fluorophenyl)methylideneamino]-3-methylthiourea
CID 3426780
1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
CID 10436322

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea?
The IUPAC name of 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea (CID 6145409) is 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea.
What is the SMILES notation for 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea?
The canonical SMILES for 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea is CNC(=S)N/N=C\c1nccc(-c2ccccc2)c1C.
What is the InChIKey of 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea?
The InChIKey is MXPFDRYYECUYSO-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-13(12-6-4-3-5-7-12)8-9-17-14(11)10-18-19-15(20)16-2/h3-10H,1-2H3,(H2,16,19,20)/b18-10-.
What are the key properties of 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea?
1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea has a molecular weight of 284.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea is sourced from PubChem (CID 6145409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).