2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone

C11H16N2OS — CID 105092243

IUPAC2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)CC1CCCC1
InChIInChI=1S/C11H16N2OS/c1-2-9-11(15-13-12-9)10(14)7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyDCKLPDDYFMQBER-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.86
Rot. Bonds4

About 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone

2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone (PubChem CID 105092243) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
PubChem CID105092243
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)CC1CCCC1
InChIInChI=1S/C11H16N2OS/c1-2-9-11(15-13-12-9)10(14)7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyDCKLPDDYFMQBER-UHFFFAOYSA-N
XLogP2.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
CID 105092076
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone
CID 105106758
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one
CID 105107163
4-ethylthiadiazole-5-carboxamide
CID 45084470
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105112446
4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide
CID 102634095
4-ethylthiadiazole-5-carbonyl chloride
CID 18524959
2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105104785
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106889
1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158582

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone (CID 105092243) is 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone is CCc1nnsc1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone?
The InChIKey is DCKLPDDYFMQBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-9-11(15-13-12-9)10(14)7-8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone?
2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone has a molecular weight of 224.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105092243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).