3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide

C11H16N2O2S — CID 103488300

IUPAC3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide
SMILESCCOCC(C)Oc1cnccc1C(N)=S
InChIInChI=1S/C11H16N2O2S/c1-3-14-7-8(2)15-10-6-13-5-4-9(10)11(12)16/h4-6,8H,3,7H2,1-2H3,(H2,12,16)
InChIKeySTCIMAJTUSMHCK-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.52
Rot. Bonds6

About 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide

3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide (PubChem CID 103488300) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide
PubChem CID103488300
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide
SMILESCCOCC(C)Oc1cnccc1C(N)=S
InChIInChI=1S/C11H16N2O2S/c1-3-14-7-8(2)15-10-6-13-5-4-9(10)11(12)16/h4-6,8H,3,7H2,1-2H3,(H2,12,16)
InChIKeySTCIMAJTUSMHCK-UHFFFAOYSA-N
XLogP1.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(1-ethoxypropan-2-yloxy)benzenecarbothioamide
CID 103488271
3-(4-butan-2-ylphenoxy)pyridine-4-carbothioamide
CID 107664883
3-butan-2-yloxy-4-prop-1-en-2-ylpyridine
CID 176949415
3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006
N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103490454
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 116801318
3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide
CID 107664918
methyl 2-[(4-carbamothioyl-3-pyridinyl)amino]propanoate
CID 114288314
[3-(1-ethoxypropan-2-yloxy)-2-pyridinyl]methanamine
CID 103486303
3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid
CID 81446130
3-(1-ethoxypropan-2-yloxymethyl)-2-fluorobenzenecarbothioamide
CID 107116184
4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
CID 103487183

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide?
The IUPAC name of 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide (CID 103488300) is 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide is CCOCC(C)Oc1cnccc1C(N)=S.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide?
The InChIKey is STCIMAJTUSMHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-14-7-8(2)15-10-6-13-5-4-9(10)11(12)16/h4-6,8H,3,7H2,1-2H3,(H2,12,16).
What are the key properties of 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide?
3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide has a molecular weight of 240.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide is sourced from PubChem (CID 103488300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).