[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone

C14H22N4O2S — CID 172899870

IUPAC[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
SMILESCOCCc1nsc(N2CC(C(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C14H22N4O2S/c1-20-8-5-12-15-14(21-16-12)18-9-11(10-18)13(19)17-6-3-2-4-7-17/h11H,2-10H2,1H3
InChIKeyBZOJKBAZWCYVPR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.18
Rot. Bonds5

About [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone

[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 172899870) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
PubChem CID172899870
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
SMILESCOCCc1nsc(N2CC(C(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C14H22N4O2S/c1-20-8-5-12-15-14(21-16-12)18-9-11(10-18)13(19)17-6-3-2-4-7-17/h11H,2-10H2,1H3
InChIKeyBZOJKBAZWCYVPR-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylazetidine-3-carboxamide
CID 171691207
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
CID 166605829
[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434757
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 165434371
cyclopropyl-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 133499006
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
CID 172901973
[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435103
3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole
CID 154575557
cyclopentyl-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]methanone
CID 133366768
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
CID 133352118
5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133480904

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone (CID 172899870) is [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone is COCCc1nsc(N2CC(C(=O)N3CCCCC3)C2)n1.
What is the InChIKey of [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is BZOJKBAZWCYVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-20-8-5-12-15-14(21-16-12)18-9-11(10-18)13(19)17-6-3-2-4-7-17/h11H,2-10H2,1H3.
What are the key properties of [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone?
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 310.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 172899870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).