[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone

C14H12F3N3O3S — CID 131702270

IUPAC[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1c(F)c(F)cc(C(=O)N2CCC(Oc3cnsn3)C2)c1F
InChIInChI=1S/C14H12F3N3O3S/c1-22-13-11(16)8(4-9(15)12(13)17)14(21)20-3-2-7(6-20)23-10-5-18-24-19-10/h4-5,7H,2-3,6H2,1H3
InChIKeySWFOTZQMQYELQZ-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.26
Rot. Bonds4

About [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone

[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone (PubChem CID 131702270) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
PubChem CID131702270
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1c(F)c(F)cc(C(=O)N2CCC(Oc3cnsn3)C2)c1F
InChIInChI=1S/C14H12F3N3O3S/c1-22-13-11(16)8(4-9(15)12(13)17)14(21)20-3-2-7(6-20)23-10-5-18-24-19-10/h4-5,7H,2-3,6H2,1H3
InChIKeySWFOTZQMQYELQZ-UHFFFAOYSA-N
XLogP2.26
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one
CID 126855456
(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone
CID 131702264
2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone
CID 126853870
4,5-difluoro-2-(3-methoxypyrrolidine-1-carbonyl)benzoic acid
CID 103531290
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90639283
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540940
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540928
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
(3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 146106621
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
(3-fluoro-4-methoxyphenyl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416784

Frequently Asked Questions

What is the IUPAC name of [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The IUPAC name of [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone (CID 131702270) is [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The canonical SMILES for [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone is COc1c(F)c(F)cc(C(=O)N2CCC(Oc3cnsn3)C2)c1F.
What is the InChIKey of [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The InChIKey is SWFOTZQMQYELQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-22-13-11(16)8(4-9(15)12(13)17)14(21)20-3-2-7(6-20)23-10-5-18-24-19-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone has a molecular weight of 359.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 131702270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).