1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea

C14H15N3S2 — CID 6287599

IUPAC1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(=S)Nc1ccc(C)cc1)c1cccs1
InChIInChI=1S/C14H15N3S2/c1-10-5-7-12(8-6-10)15-14(18)17-16-11(2)13-4-3-9-19-13/h3-9H,1-2H3,(H2,15,17,18)/b16-11-
InChIKeyNKCDYKMCQJBYHM-WJDWOHSUSA-N
MW289.43 g/mol
LogP3.77
Rot. Bonds3

About 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea

1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea (PubChem CID 6287599) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea
PubChem CID6287599
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(=S)Nc1ccc(C)cc1)c1cccs1
InChIInChI=1S/C14H15N3S2/c1-10-5-7-12(8-6-10)15-14(18)17-16-11(2)13-4-3-9-19-13/h3-9H,1-2H3,(H2,15,17,18)/b16-11-
InChIKeyNKCDYKMCQJBYHM-WJDWOHSUSA-N
XLogP3.77
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea?
The IUPAC name of 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea (CID 6287599) is 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea is C/C(=N/NC(=S)Nc1ccc(C)cc1)c1cccs1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea?
The InChIKey is NKCDYKMCQJBYHM-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-10-5-7-12(8-6-10)15-14(18)17-16-11(2)13-4-3-9-19-13/h3-9H,1-2H3,(H2,15,17,18)/b16-11-.
What are the key properties of 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea?
1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea has a molecular weight of 289.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(Z)-1-thiophen-2-ylethylideneamino]thiourea is sourced from PubChem (CID 6287599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).