5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide

C13H19N3OS — CID 114112956

IUPAC5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide
SMILESCOCCC1(CNc2ccc(C(N)=S)nc2)CC1
InChIInChI=1S/C13H19N3OS/c1-17-7-6-13(4-5-13)9-16-10-2-3-11(12(14)18)15-8-10/h2-3,8,16H,4-7,9H2,1H3,(H2,14,18)
InChIKeyZPHIIKKELAANHA-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.94
Rot. Bonds7

About 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide

5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide (PubChem CID 114112956) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide
PubChem CID114112956
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide
SMILESCOCCC1(CNc2ccc(C(N)=S)nc2)CC1
InChIInChI=1S/C13H19N3OS/c1-17-7-6-13(4-5-13)9-16-10-2-3-11(12(14)18)15-8-10/h2-3,8,16H,4-7,9H2,1H3,(H2,14,18)
InChIKeyZPHIIKKELAANHA-UHFFFAOYSA-N
XLogP1.94
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide
CID 114112951
5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide
CID 115488733
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
CID 114112950
5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide
CID 115488387
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline
CID 102846501
5-(3-methoxypropoxy)pyridine-2-carbothioamide
CID 115488901
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 103292610
3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
CID 114113192
5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 115488535
5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
CID 122055100
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
CID 114113423

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide?
The IUPAC name of 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide (CID 114112956) is 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide is COCCC1(CNc2ccc(C(N)=S)nc2)CC1.
What is the InChIKey of 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide?
The InChIKey is ZPHIIKKELAANHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-17-7-6-13(4-5-13)9-16-10-2-3-11(12(14)18)15-8-10/h2-3,8,16H,4-7,9H2,1H3,(H2,14,18).
What are the key properties of 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide?
5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide has a molecular weight of 265.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 114112956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).