2-(2-cyclobutylethoxy)pyridine-4-carbothioamide

C12H16N2OS — CID 106201698

IUPAC2-(2-cyclobutylethoxy)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(OCCC2CCC2)c1
InChIInChI=1S/C12H16N2OS/c13-12(16)10-4-6-14-11(8-10)15-7-5-9-2-1-3-9/h4,6,8-9H,1-3,5,7H2,(H2,13,16)
InChIKeyMXMAYVKNIHIYHY-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide

2-(2-cyclobutylethoxy)pyridine-4-carbothioamide (PubChem CID 106201698) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)pyridine-4-carbothioamide
PubChem CID106201698
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(2-cyclobutylethoxy)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(OCCC2CCC2)c1
InChIInChI=1S/C12H16N2OS/c13-12(16)10-4-6-14-11(8-10)15-7-5-9-2-1-3-9/h4,6,8-9H,1-3,5,7H2,(H2,13,16)
InChIKeyMXMAYVKNIHIYHY-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylmethoxy)pyridine-4-carbothioamide
CID 62384097
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
CID 61102474
4-(2-cyclobutylethoxy)-3,5-difluorobenzenecarbothioamide
CID 106201734
2-(2-piperidin-2-ylethoxy)pyridine-4-carboxamide
CID 62347860
2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 58347770
N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide
CID 136920317
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 24692502
2-(2-cyclobutylethoxy)-6-methylpyrimidine-4-carbothioamide
CID 106201703
1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347996
3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
CID 106201688
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide
CID 28825096

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide?
The IUPAC name of 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide (CID 106201698) is 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide?
The canonical SMILES for 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide is NC(=S)c1ccnc(OCCC2CCC2)c1.
What is the InChIKey of 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide?
The InChIKey is MXMAYVKNIHIYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-12(16)10-4-6-14-11(8-10)15-7-5-9-2-1-3-9/h4,6,8-9H,1-3,5,7H2,(H2,13,16).
What are the key properties of 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide?
2-(2-cyclobutylethoxy)pyridine-4-carbothioamide has a molecular weight of 236.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)pyridine-4-carbothioamide is sourced from PubChem (CID 106201698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).