[(Z)-pyridin-2-ylmethylideneamino]thiourea

C7H8N4S — CID 5354113

IUPAC[(Z)-pyridin-2-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C\c1ccccn1
InChIInChI=1S/C7H8N4S/c8-7(12)11-10-5-6-3-1-2-4-9-6/h1-5H,(H3,8,11,12)/b10-5-
InChIKeyGXBCCUBTQFNGFA-YHYXMXQVSA-N
MW180.24 g/mol
LogP0.25
Rot. Bonds2

About [(Z)-pyridin-2-ylmethylideneamino]thiourea

[(Z)-pyridin-2-ylmethylideneamino]thiourea (PubChem CID 5354113) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is [(Z)-pyridin-2-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-pyridin-2-ylmethylideneamino]thiourea
PubChem CID5354113
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name[(Z)-pyridin-2-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C\c1ccccn1
InChIInChI=1S/C7H8N4S/c8-7(12)11-10-5-6-3-1-2-4-9-6/h1-5H,(H3,8,11,12)/b10-5-
InChIKeyGXBCCUBTQFNGFA-YHYXMXQVSA-N
XLogP0.25
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.25
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

CID 50936105
CID 50936105
hydrogen sulfate;iron;(pyridin-2-ylmethylideneamino)thiourea
CID 50909656
1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
CID 10436322
1,2-bis(pyridin-2-ylmethylideneamino)guanidine
CID 53440400
bis(methyl N-(pyridin-2-ylmethylideneamino)carbamodithioate);nickel
CID 50911309
1-(4-hydroxyphenyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
CID 177447098
(1,8-naphthyridin-2-ylmethylideneamino)thiourea
CID 75146831
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea
CID 10219945
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
4-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]piperazine-1-carbothioamide
CID 25112862

Frequently Asked Questions

What is the IUPAC name of [(Z)-pyridin-2-ylmethylideneamino]thiourea?
The IUPAC name of [(Z)-pyridin-2-ylmethylideneamino]thiourea (CID 5354113) is [(Z)-pyridin-2-ylmethylideneamino]thiourea.
What is the SMILES notation for [(Z)-pyridin-2-ylmethylideneamino]thiourea?
The canonical SMILES for [(Z)-pyridin-2-ylmethylideneamino]thiourea is NC(=S)N/N=C\c1ccccn1.
What is the InChIKey of [(Z)-pyridin-2-ylmethylideneamino]thiourea?
The InChIKey is GXBCCUBTQFNGFA-YHYXMXQVSA-N. The full InChI is InChI=1S/C7H8N4S/c8-7(12)11-10-5-6-3-1-2-4-9-6/h1-5H,(H3,8,11,12)/b10-5-.
What are the key properties of [(Z)-pyridin-2-ylmethylideneamino]thiourea?
[(Z)-pyridin-2-ylmethylideneamino]thiourea has a molecular weight of 180.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pyridin-2-ylmethylideneamino]thiourea is sourced from PubChem (CID 5354113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).