2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide

C13H13N3O2S — CID 29369167

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)Nc1nncs1
InChIInChI=1S/C13H13N3O2S/c17-12(15-13-16-14-8-19-13)7-18-11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,15,16,17)
InChIKeyWQQCLBPXIGAYJC-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 29369167) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID29369167
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)Nc1nncs1
InChIInChI=1S/C13H13N3O2S/c17-12(15-13-16-14-8-19-13)7-18-11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,15,16,17)
InChIKeyWQQCLBPXIGAYJC-UHFFFAOYSA-N
XLogP2.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 4801918
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5106839
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921771
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 51139353
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 16549914
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630112
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 29369167) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc2c(c1)CCC2)Nc1nncs1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WQQCLBPXIGAYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-12(15-13-16-14-8-19-13)7-18-11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,15,16,17).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 29369167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).