N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide

C12H17N5OS — CID 73212742

IUPACN-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide
SMILESCc1ccnc(/C(N)=N/NC(=S)N2CCOCC2)c1
InChIInChI=1S/C12H17N5OS/c1-9-2-3-14-10(8-9)11(13)15-16-12(19)17-4-6-18-7-5-17/h2-3,8H,4-7H2,1H3,(H2,13,15)(H,16,19)
InChIKeyUKBPIIVBVJYZKF-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.22
Rot. Bonds2

About N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide

N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide (PubChem CID 73212742) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide
PubChem CID73212742
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide
SMILESCc1ccnc(/C(N)=N/NC(=S)N2CCOCC2)c1
InChIInChI=1S/C12H17N5OS/c1-9-2-3-14-10(8-9)11(13)15-16-12(19)17-4-6-18-7-5-17/h2-3,8H,4-7H2,1H3,(H2,13,15)(H,16,19)
InChIKeyUKBPIIVBVJYZKF-UHFFFAOYSA-N
XLogP0.22
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Piperidinecarbothioic acid, 2-(1-(2-pyridinyl)ethylidene)hydrazide
CID 3005684
4-((2-ME-3-PH-2-Propenylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
CID 9615546
N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide
CID 5484390
4-(benzalamino)-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione
CID 6858358
N,N-Dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide
CID 10039542
1-ethyl-1-methyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 44600438
N-[(E)-1-(3-methyl-2-pyridinyl)ethylideneamino]azetidine-1-carbothioamide
CID 122463077
4-Morpholinecarbothioic acid, (1-(2-pyridinyl)ethylidene)hydrazide
CID 6509867
Mls003170673
CID 9602153
4-methyl-3-(pyridin-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
CID 2825042
N'-(2-ethylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-2-ylmethyl)thiourea
CID 6621129
1,1-diethyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea
CID 9578959

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide?
The IUPAC name of N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide (CID 73212742) is N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide.
What is the SMILES notation for N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide?
The canonical SMILES for N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide is Cc1ccnc(/C(N)=N/NC(=S)N2CCOCC2)c1.
What is the InChIKey of N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide?
The InChIKey is UKBPIIVBVJYZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9-2-3-14-10(8-9)11(13)15-16-12(19)17-4-6-18-7-5-17/h2-3,8H,4-7H2,1H3,(H2,13,15)(H,16,19).
What are the key properties of N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide?
N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide has a molecular weight of 279.37 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide is sourced from PubChem (CID 73212742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).