[(E)-2-pyridin-3-ylethylideneamino]thiourea

C8H10N4S — CID 91937877

IUPAC[(E)-2-pyridin-3-ylethylideneamino]thiourea
SMILESNC(=S)N/N=C/Cc1cccnc1
InChIInChI=1S/C8H10N4S/c9-8(13)12-11-5-3-7-2-1-4-10-6-7/h1-2,4-6H,3H2,(H3,9,12,13)/b11-5+
InChIKeyMBXUUEOPBQVIGU-VZUCSPMQSA-N
MW194.26 g/mol
LogP0.44
Rot. Bonds3

About [(E)-2-pyridin-3-ylethylideneamino]thiourea

[(E)-2-pyridin-3-ylethylideneamino]thiourea (PubChem CID 91937877) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is [(E)-2-pyridin-3-ylethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-2-pyridin-3-ylethylideneamino]thiourea
PubChem CID91937877
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name[(E)-2-pyridin-3-ylethylideneamino]thiourea
SMILESNC(=S)N/N=C/Cc1cccnc1
InChIInChI=1S/C8H10N4S/c9-8(13)12-11-5-3-7-2-1-4-10-6-7/h1-2,4-6H,3H2,(H3,9,12,13)/b11-5+
InChIKeyMBXUUEOPBQVIGU-VZUCSPMQSA-N
XLogP0.44
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.44
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-(pyridin-3-ylmethyl)indol-6-yl]methylideneamino]thiourea
CID 168535539
(pyridin-3-ylmethylamino)thiourea;hydrochloride
CID 21152363
3-pyridin-3-ylprop-1-en-1-ol;hydrochloride
CID 67682923
1,2-dipyridin-3-ylethylthiourea
CID 20980032
(pyridin-3-ylamino)thiourea
CID 3571447
[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 6433252
pyridin-3-ylthiourea
CID 2760515
[4-(2-pyridin-3-ylethyl)phenyl]hydrazine
CID 14987072
(2,4-dipyridin-3-ylpentan-3-ylideneamino)thiourea
CID 174477241
3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine
CID 146907148
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
pyridin-3-ylmethylcarbamodithioic acid;hydrochloride
CID 89413120

Frequently Asked Questions

What is the IUPAC name of [(E)-2-pyridin-3-ylethylideneamino]thiourea?
The IUPAC name of [(E)-2-pyridin-3-ylethylideneamino]thiourea (CID 91937877) is [(E)-2-pyridin-3-ylethylideneamino]thiourea.
What is the SMILES notation for [(E)-2-pyridin-3-ylethylideneamino]thiourea?
The canonical SMILES for [(E)-2-pyridin-3-ylethylideneamino]thiourea is NC(=S)N/N=C/Cc1cccnc1.
What is the InChIKey of [(E)-2-pyridin-3-ylethylideneamino]thiourea?
The InChIKey is MBXUUEOPBQVIGU-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H10N4S/c9-8(13)12-11-5-3-7-2-1-4-10-6-7/h1-2,4-6H,3H2,(H3,9,12,13)/b11-5+.
What are the key properties of [(E)-2-pyridin-3-ylethylideneamino]thiourea?
[(E)-2-pyridin-3-ylethylideneamino]thiourea has a molecular weight of 194.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-pyridin-3-ylethylideneamino]thiourea is sourced from PubChem (CID 91937877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).