[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea

C9H12N4S — CID 5370842

IUPAC[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(C)nc1
InChIInChI=1S/C9H12N4S/c1-6-3-4-8(5-11-6)7(2)12-13-9(10)14/h3-5H,1-2H3,(H3,10,13,14)/b12-7-
InChIKeyKNVDOTDNKJZISM-GHXNOFRVSA-N
MW208.29 g/mol
LogP0.95
Rot. Bonds2

About [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea

[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea (PubChem CID 5370842) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
PubChem CID5370842
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(C)nc1
InChIInChI=1S/C9H12N4S/c1-6-3-4-8(5-11-6)7(2)12-13-9(10)14/h3-5H,1-2H3,(H3,10,13,14)/b12-7-
InChIKeyKNVDOTDNKJZISM-GHXNOFRVSA-N
XLogP0.95
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.95
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-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
CID 88517112
[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
(1-phenylethylideneamino)thiourea
CID 912962
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
ethane;6-methylpyridine-3-carbothioamide
CID 143699561
(NZ)-N-[1-(6-methyl-3-pyridinyl)ethylidene]hydroxylamine
CID 5355190
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
1-(6-methyl-3-pyridinyl)ethanethione
CID 56619669
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea (CID 5370842) is [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea is C/C(=N/NC(N)=S)c1ccc(C)nc1.
What is the InChIKey of [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea?
The InChIKey is KNVDOTDNKJZISM-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-3-4-8(5-11-6)7(2)12-13-9(10)14/h3-5H,1-2H3,(H3,10,13,14)/b12-7-.
What are the key properties of [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea?
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea has a molecular weight of 208.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea is sourced from PubChem (CID 5370842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).