[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea

C8H11N5S — CID 10219945

IUPAC[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea
SMILESCNc1ccc(/C=N/NC(N)=S)nc1
InChIInChI=1S/C8H11N5S/c1-10-6-2-3-7(11-4-6)5-12-13-8(9)14/h2-5,10H,1H3,(H3,9,13,14)/b12-5+
InChIKeyHATRZKILWMWULA-LFYBBSHMSA-N
MW209.28 g/mol
LogP0.29
Rot. Bonds3

About [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea

[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea (PubChem CID 10219945) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea
PubChem CID10219945
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea
SMILESCNc1ccc(/C=N/NC(N)=S)nc1
InChIInChI=1S/C8H11N5S/c1-10-6-2-3-7(11-4-6)5-12-13-8(9)14/h2-5,10H,1H3,(H3,9,13,14)/b12-5+
InChIKeyHATRZKILWMWULA-LFYBBSHMSA-N
XLogP0.29
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide
CID 10399269
[[5-(trifluoromethoxy)-2-pyridinyl]methylideneamino]thiourea
CID 4002121
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
[6-[(carbamothioylhydrazinylidene)methyl]-3-pyridinyl] 2-ethoxyacetate
CID 4551327
CID 50936105
CID 50936105
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
(1,8-naphthyridin-2-ylmethylideneamino)thiourea
CID 75146831
hydrogen sulfate;iron;(pyridin-2-ylmethylideneamino)thiourea
CID 50909656
[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 6433252
[(2-phenyltriazol-4-yl)methylideneamino]thiourea
CID 73010771
[(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea
CID 3035749
[(Z)-(1-methylpyrazol-4-yl)methylideneamino]thiourea
CID 51723378

Frequently Asked Questions

What is the IUPAC name of [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea?
The IUPAC name of [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea (CID 10219945) is [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea.
What is the SMILES notation for [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea?
The canonical SMILES for [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea is CNc1ccc(/C=N/NC(N)=S)nc1.
What is the InChIKey of [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea?
The InChIKey is HATRZKILWMWULA-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H11N5S/c1-10-6-2-3-7(11-4-6)5-12-13-8(9)14/h2-5,10H,1H3,(H3,9,13,14)/b12-5+.
What are the key properties of [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea?
[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea has a molecular weight of 209.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea is sourced from PubChem (CID 10219945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).