[(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea

C8H11N5S — CID 3035749

IUPAC[(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea
SMILESCc1ccnc(C=NNC(N)=S)c1N
InChIInChI=1S/C8H11N5S/c1-5-2-3-11-6(7(5)9)4-12-13-8(10)14/h2-4H,9H2,1H3,(H3,10,13,14)
InChIKeyFYAKAEANAJIHHV-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.14
Rot. Bonds2

About [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea

[(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea (PubChem CID 3035749) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea
PubChem CID3035749
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name[(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea
SMILESCc1ccnc(C=NNC(N)=S)c1N
InChIInChI=1S/C8H11N5S/c1-5-2-3-11-6(7(5)9)4-12-13-8(10)14/h2-4H,9H2,1H3,(H3,10,13,14)
InChIKeyFYAKAEANAJIHHV-UHFFFAOYSA-N
XLogP0.14
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.14
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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Frequently Asked Questions

What is the IUPAC name of [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea?
The IUPAC name of [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea (CID 3035749) is [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea.
What is the SMILES notation for [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea?
The canonical SMILES for [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea is Cc1ccnc(C=NNC(N)=S)c1N.
What is the InChIKey of [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea?
The InChIKey is FYAKAEANAJIHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-2-3-11-6(7(5)9)4-12-13-8(10)14/h2-4H,9H2,1H3,(H3,10,13,14).
What are the key properties of [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea?
[(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea has a molecular weight of 209.28 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-amino-4-methyl-2-pyridinyl)methylideneamino]thiourea is sourced from PubChem (CID 3035749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).