1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea

C10H14N4S — CID 3005617

IUPAC1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)N(C)C)c1ccccn1
InChIInChI=1S/C10H14N4S/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3,(H,13,15)
InChIKeyZMZIYBQONAEPNV-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.24
Rot. Bonds2

About 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea

1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea (PubChem CID 3005617) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
PubChem CID3005617
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)N(C)C)c1ccccn1
InChIInChI=1S/C10H14N4S/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3,(H,13,15)
InChIKeyZMZIYBQONAEPNV-UHFFFAOYSA-N
XLogP1.24
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The IUPAC name of 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea (CID 3005617) is 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea.
What is the SMILES notation for 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The canonical SMILES for 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea is CC(=NNC(=S)N(C)C)c1ccccn1.
What is the InChIKey of 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The InChIKey is ZMZIYBQONAEPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea has a molecular weight of 222.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea is sourced from PubChem (CID 3005617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).