(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone

C18H22N2O2S — CID 121150576

IUPAC(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(Oc3nccs3)C2)cc1
InChIInChI=1S/C18H22N2O2S/c1-18(2,3)14-6-4-13(5-7-14)16(21)20-10-8-15(12-20)22-17-19-9-11-23-17/h4-7,9,11,15H,8,10,12H2,1-3H3
InChIKeyFWOCSTWNJZUMSU-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.73
Rot. Bonds3

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

(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone (PubChem CID 121150576) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
PubChem CID121150576
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(Oc3nccs3)C2)cc1
InChIInChI=1S/C18H22N2O2S/c1-18(2,3)14-6-4-13(5-7-14)16(21)20-10-8-15(12-20)22-17-19-9-11-23-17/h4-7,9,11,15H,8,10,12H2,1-3H3
InChIKeyFWOCSTWNJZUMSU-UHFFFAOYSA-N
XLogP3.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150299
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150554
4-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzonitrile
CID 121150315
2,2-dimethyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150296
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121150557
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150506
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 121150333
methyl 2-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzoate
CID 121150532
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone (CID 121150576) is (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCC(Oc3nccs3)C2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The InChIKey is FWOCSTWNJZUMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-18(2,3)14-6-4-13(5-7-14)16(21)20-10-8-15(12-20)22-17-19-9-11-23-17/h4-7,9,11,15H,8,10,12H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).