2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

C16H18N2OS — CID 105103824

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H18N2OS/c1-10(2)15-16(20-18-17-15)14(19)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10H,3-5,9H2,1-2H3
InChIKeyYHAFNGNINFBBDN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.58
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (PubChem CID 105103824) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
PubChem CID105103824
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H18N2OS/c1-10(2)15-16(20-18-17-15)14(19)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10H,3-5,9H2,1-2H3
InChIKeyYHAFNGNINFBBDN-UHFFFAOYSA-N
XLogP3.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105152360
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105103740
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105103657
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
CID 60645922
5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 62064832

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (CID 105103824) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is CC(C)c1nnsc1C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The InChIKey is YHAFNGNINFBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10(2)15-16(20-18-17-15)14(19)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone has a molecular weight of 286.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105103824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).