2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide

C14H20N4S — CID 90674793

IUPAC2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide
SMILESC/C(=N/NC(=S)N1CCCCC1C)c1ccccn1
InChIInChI=1S/C14H20N4S/c1-11-7-4-6-10-18(11)14(19)17-16-12(2)13-8-3-5-9-15-13/h3,5,8-9,11H,4,6-7,10H2,1-2H3,(H,17,19)/b16-12-
InChIKeyIDHNLZJVBCWHSX-VBKFSLOCSA-N
MW276.41 g/mol
LogP2.55
Rot. Bonds2

About 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide

2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide (PubChem CID 90674793) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide
PubChem CID90674793
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide
SMILESC/C(=N/NC(=S)N1CCCCC1C)c1ccccn1
InChIInChI=1S/C14H20N4S/c1-11-7-4-6-10-18(11)14(19)17-16-12(2)13-8-3-5-9-15-13/h3,5,8-9,11H,4,6-7,10H2,1-2H3,(H,17,19)/b16-12-
InChIKeyIDHNLZJVBCWHSX-VBKFSLOCSA-N
XLogP2.55
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
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

2-ethyl-N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide
CID 5218260
N-[(Z)-1-pyridin-2-ylethylideneamino]azocane-1-carbothioamide
CID 6810515
gallium N-(1-pyridin-2-ylethylideneamino)azepane-1-carbothioamide
CID 50910578
N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
CID 3003931
CID 50935686
CID 50935686
N-[(Z)-1-pyridin-2-ylethylideneamino]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
CID 5371093
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
N-benzyl-2-methylpiperidine-1-carbothioamide
CID 4032139
1-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 4016392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide?
The IUPAC name of 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide (CID 90674793) is 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide is C/C(=N/NC(=S)N1CCCCC1C)c1ccccn1.
What is the InChIKey of 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide?
The InChIKey is IDHNLZJVBCWHSX-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11-7-4-6-10-18(11)14(19)17-16-12(2)13-8-3-5-9-15-13/h3,5,8-9,11H,4,6-7,10H2,1-2H3,(H,17,19)/b16-12-.
What are the key properties of 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide?
2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide has a molecular weight of 276.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide is sourced from PubChem (CID 90674793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).