2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide

C15H14N2OS — CID 28825096

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H14N2OS/c16-15(19)12-6-7-17-14(9-12)18-13-5-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,16,19)
InChIKeyNFUOGVSZUSXHFA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.00
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide

2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide (PubChem CID 28825096) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide
PubChem CID28825096
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H14N2OS/c16-15(19)12-6-7-17-14(9-12)18-13-5-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,16,19)
InChIKeyNFUOGVSZUSXHFA-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.00
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-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide
CID 64600981
6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 79176837
[6-(2,3-dihydro-1H-inden-5-yloxy)pyridazin-3-yl]methanamine
CID 62322559
2-(2-methylphenoxy)pyridine-4-carbothioamide
CID 24710338
4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one
CID 103241277
2-(2,3,6-trimethylphenoxy)pyridine-4-carbothioamide
CID 43345578
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine-2-carboxylic acid
CID 43326034
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzenecarbothioamide
CID 81298509
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000
6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid
CID 60791786
[6-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methanamine
CID 28824727

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide (CID 28825096) is 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide is NC(=S)c1ccnc(Oc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide?
The InChIKey is NFUOGVSZUSXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-15(19)12-6-7-17-14(9-12)18-13-5-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,16,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide?
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide has a molecular weight of 270.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide is sourced from PubChem (CID 28825096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).