[(6-methyl-2-pyridinyl)methylideneamino]thiourea

C8H10N4S — CID 5042042

IUPAC[(6-methyl-2-pyridinyl)methylideneamino]thiourea
SMILESCc1cccc(C=NNC(N)=S)n1
InChIInChI=1S/C8H10N4S/c1-6-3-2-4-7(11-6)5-10-12-8(9)13/h2-5H,1H3,(H3,9,12,13)
InChIKeyRGSKQRUEJICXLG-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.56
Rot. Bonds2

About [(6-methyl-2-pyridinyl)methylideneamino]thiourea

[(6-methyl-2-pyridinyl)methylideneamino]thiourea (PubChem CID 5042042) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is [(6-methyl-2-pyridinyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(6-methyl-2-pyridinyl)methylideneamino]thiourea
PubChem CID5042042
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name[(6-methyl-2-pyridinyl)methylideneamino]thiourea
SMILESCc1cccc(C=NNC(N)=S)n1
InChIInChI=1S/C8H10N4S/c1-6-3-2-4-7(11-6)5-10-12-8(9)13/h2-5H,1H3,(H3,9,12,13)
InChIKeyRGSKQRUEJICXLG-UHFFFAOYSA-N
XLogP0.56
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.56
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

copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate
CID 175779142
bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate);zinc
CID 50918126
copper;bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate)
CID 50919597
3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea
CID 3005700
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
1-butyl-3-[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 3005785
copper 1-butyl-3-[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 50911193
copper N-[(6-methyl-2-pyridinyl)methylideneamino]piperidine-1-carbothioamide
CID 50910602
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
CID 86152430
(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
CID 94849044

Frequently Asked Questions

What is the IUPAC name of [(6-methyl-2-pyridinyl)methylideneamino]thiourea?
The IUPAC name of [(6-methyl-2-pyridinyl)methylideneamino]thiourea (CID 5042042) is [(6-methyl-2-pyridinyl)methylideneamino]thiourea.
What is the SMILES notation for [(6-methyl-2-pyridinyl)methylideneamino]thiourea?
The canonical SMILES for [(6-methyl-2-pyridinyl)methylideneamino]thiourea is Cc1cccc(C=NNC(N)=S)n1.
What is the InChIKey of [(6-methyl-2-pyridinyl)methylideneamino]thiourea?
The InChIKey is RGSKQRUEJICXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6-3-2-4-7(11-6)5-10-12-8(9)13/h2-5H,1H3,(H3,9,12,13).
What are the key properties of [(6-methyl-2-pyridinyl)methylideneamino]thiourea?
[(6-methyl-2-pyridinyl)methylideneamino]thiourea has a molecular weight of 194.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-methyl-2-pyridinyl)methylideneamino]thiourea is sourced from PubChem (CID 5042042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).