(2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one

C15H17N3O2S2 — CID 2678672

IUPAC(2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one
SMILESCCOc1ccccc1Nc1nnc(S[C@H]2CCCC2=O)s1
InChIInChI=1S/C15H17N3O2S2/c1-2-20-12-8-4-3-6-10(12)16-14-17-18-15(22-14)21-13-9-5-7-11(13)19/h3-4,6,8,13H,2,5,7,9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyQFMFOBPRPCOWCI-ZDUSSCGKSA-N
MW335.45 g/mol
LogP3.89
Rot. Bonds6

About (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one

(2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one (PubChem CID 2678672) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one
PubChem CID2678672
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name(2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one
SMILESCCOc1ccccc1Nc1nnc(S[C@H]2CCCC2=O)s1
InChIInChI=1S/C15H17N3O2S2/c1-2-20-12-8-4-3-6-10(12)16-14-17-18-15(22-14)21-13-9-5-7-11(13)19/h3-4,6,8,13H,2,5,7,9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyQFMFOBPRPCOWCI-ZDUSSCGKSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one with MolForge

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Related Compounds

(2S)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 9220846
(2R)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one
CID 2678219
N-(2-ethoxyphenyl)-5-[[(2S)-oxan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2589170
2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 5202827
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2402342
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2696395
(2S)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7863223
(2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 7987538
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2679935
5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96663796
4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 2464510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 34398960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one?
The IUPAC name of (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one (CID 2678672) is (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one is CCOc1ccccc1Nc1nnc(S[C@H]2CCCC2=O)s1.
What is the InChIKey of (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one?
The InChIKey is QFMFOBPRPCOWCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-2-20-12-8-4-3-6-10(12)16-14-17-18-15(22-14)21-13-9-5-7-11(13)19/h3-4,6,8,13H,2,5,7,9H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one?
(2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one is sourced from PubChem (CID 2678672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).