1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea

C7H9N5S — CID 55280342

IUPAC1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
SMILESNNC(=S)N/N=C/c1ccncc1
InChIInChI=1S/C7H9N5S/c8-11-7(13)12-10-5-6-1-3-9-4-2-6/h1-5H,8H2,(H2,11,12,13)/b10-5+
InChIKeySOWHOGYPNJMTHZ-BJMVGYQFSA-N
MW195.25 g/mol
LogP-0.25
Rot. Bonds2

About 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea

1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea (PubChem CID 55280342) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
PubChem CID55280342
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
SMILESNNC(=S)N/N=C/c1ccncc1
InChIInChI=1S/C7H9N5S/c8-11-7(13)12-10-5-6-1-3-9-4-2-6/h1-5H,8H2,(H2,11,12,13)/b10-5+
InChIKeySOWHOGYPNJMTHZ-BJMVGYQFSA-N
XLogP-0.25
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea
CID 4109336
1-amino-3-[(Z)-benzylideneamino]thiourea
CID 6082956
[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 6433252
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
1-prop-2-enyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 7694999
1-amino-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 2728543
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
1-(2,4-difluorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]thiourea
CID 27484864
1-(3,4-dimethoxyphenyl)-3-(pyridin-4-ylmethylideneamino)thiourea
CID 5110693
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 7949163

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea?
The IUPAC name of 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea (CID 55280342) is 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea.
What is the SMILES notation for 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea?
The canonical SMILES for 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea is NNC(=S)N/N=C/c1ccncc1.
What is the InChIKey of 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea?
The InChIKey is SOWHOGYPNJMTHZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H9N5S/c8-11-7(13)12-10-5-6-1-3-9-4-2-6/h1-5H,8H2,(H2,11,12,13)/b10-5+.
What are the key properties of 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea?
1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea has a molecular weight of 195.25 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea is sourced from PubChem (CID 55280342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).