[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone

C17H20N2O2S — CID 121150333

IUPAC[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC(Oc3nccs3)C2)c(C)c1
InChIInChI=1S/C17H20N2O2S/c1-11-8-12(2)15(13(3)9-11)16(20)19-6-4-14(10-19)21-17-18-5-7-22-17/h5,7-9,14H,4,6,10H2,1-3H3
InChIKeyJCABAZSWSPZPOL-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.36
Rot. Bonds3

About [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone

[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 121150333) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID121150333
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC(Oc3nccs3)C2)c(C)c1
InChIInChI=1S/C17H20N2O2S/c1-11-8-12(2)15(13(3)9-11)16(20)19-6-4-14(10-19)21-17-18-5-7-22-17/h5,7-9,14H,4,6,10H2,1-3H3
InChIKeyJCABAZSWSPZPOL-UHFFFAOYSA-N
XLogP3.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90627450
(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150554
phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150299
2,2-dimethyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150296
(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121150557
methyl 2-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzoate
CID 121150532
2-(4-methylphenoxy)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150572
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505
4-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzonitrile
CID 121150315
1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150506

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone (CID 121150333) is [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)N2CCC(Oc3nccs3)C2)c(C)c1.
What is the InChIKey of [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is JCABAZSWSPZPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-8-12(2)15(13(3)9-11)16(20)19-6-4-14(10-19)21-17-18-5-7-22-17/h5,7-9,14H,4,6,10H2,1-3H3.
What are the key properties of [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 316.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 121150333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).