methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate

C8H10N4S — CID 6850946

IUPACmethyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
SMILESCSC(N)=N/N=C\c1cccnc1
InChIInChI=1S/C8H10N4S/c1-13-8(9)12-11-6-7-3-2-4-10-5-7/h2-6H,1H3,(H2,9,12)/b11-6-
InChIKeyCIKQLZKXQXQUDS-WDZFZDKYSA-N
MW194.26 g/mol
LogP1.09
Rot. Bonds2

About methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate

methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate (PubChem CID 6850946) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
PubChem CID6850946
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Namemethyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
SMILESCSC(N)=N/N=C\c1cccnc1
InChIInChI=1S/C8H10N4S/c1-13-8(9)12-11-6-7-3-2-4-10-5-7/h2-6H,1H3,(H2,9,12)/b11-6-
InChIKeyCIKQLZKXQXQUDS-WDZFZDKYSA-N
XLogP1.09
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
CID 54609066
1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
CID 6913986
methyl N'-[(Z)-(3-methylphenyl)methylideneamino]carbamimidothioate
CID 110510414
methyl N'-[(Z)-(3-chlorophenyl)methylideneamino]carbamimidothioate
CID 6480327
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
CID 131842509
(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
CID 177475963
methyl N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidothioate
CID 172916516
methyl N'-[(Z)-(4-nitrophenyl)methylideneamino]carbamimidothioate
CID 6511843
1,1-diamino-N-[(E)-pyridin-3-ylmethylideneamino]methanimine oxide
CID 135853793
methyl N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamimidothioate;hydroiodide
CID 135412245
N-(2-methylprop-2-enyl)-1-pyridin-3-ylmethanimine
CID 142604700
CID 131858610
CID 131858610

Frequently Asked Questions

What is the IUPAC name of methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate?
The IUPAC name of methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate (CID 6850946) is methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate.
What is the SMILES notation for methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate?
The canonical SMILES for methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate is CSC(N)=N/N=C\c1cccnc1.
What is the InChIKey of methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate?
The InChIKey is CIKQLZKXQXQUDS-WDZFZDKYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-13-8(9)12-11-6-7-3-2-4-10-5-7/h2-6H,1H3,(H2,9,12)/b11-6-.
What are the key properties of methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate?
methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate has a molecular weight of 194.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate is sourced from PubChem (CID 6850946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).