2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone

C12H18N2O2S — CID 105091952

IUPAC2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)CC1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-2-3-10-12(17-14-13-10)11(15)8-9-4-6-16-7-5-9/h9H,2-8H2,1H3
InChIKeyUXAVHGONANIKIN-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.49
Rot. Bonds5

About 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone

2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 105091952) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID105091952
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)CC1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-2-3-10-12(17-14-13-10)11(15)8-9-4-6-16-7-5-9/h9H,2-8H2,1H3
InChIKeyUXAVHGONANIKIN-UHFFFAOYSA-N
XLogP2.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(4-methylthiadiazole-5-carbonyl)-3,5-dioxocyclohexane-1-carboxylate
CID 14837769
Cyclohexyl-(4-methylthiadiazol-5-yl)methanone
CID 140419483
2-Ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)nonan-1-one
CID 167245782
2-Ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one
CID 167246020
4-Methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one
CID 103024495
1-(4-Ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one
CID 103024605
1-(4-Tert-butylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one
CID 103024676
4-Methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one
CID 103024767
4-Methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-one
CID 103024777
2-Methyl-1-(4-propylthiadiazol-5-yl)propan-1-one
CID 105076498
Cyclohexyl-(4-propylthiadiazol-5-yl)methanone
CID 105076815
(4-Tert-butylthiadiazol-5-yl)-cyclohexylmethanone
CID 105076837

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone (CID 105091952) is 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is UXAVHGONANIKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-3-10-12(17-14-13-10)11(15)8-9-4-6-16-7-5-9/h9H,2-8H2,1H3.
What are the key properties of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 254.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105091952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).