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

C16H18N2O2S — CID 121150554

IUPAC(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(Oc3nccs3)C2)cc1C
InChIInChI=1S/C16H18N2O2S/c1-11-3-4-13(9-12(11)2)15(19)18-7-5-14(10-18)20-16-17-6-8-21-16/h3-4,6,8-9,14H,5,7,10H2,1-2H3
InChIKeyXCPMYGCXUFXCTM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.05
Rot. Bonds3

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

(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone (PubChem CID 121150554) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
PubChem CID121150554
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(Oc3nccs3)C2)cc1C
InChIInChI=1S/C16H18N2O2S/c1-11-3-4-13(9-12(11)2)15(19)18-7-5-14(10-18)20-16-17-6-8-21-16/h3-4,6,8-9,14H,5,7,10H2,1-2H3
InChIKeyXCPMYGCXUFXCTM-UHFFFAOYSA-N
XLogP3.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576
phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150299
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 121150333
1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150506
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
4-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzonitrile
CID 121150315
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121150557
2,2-dimethyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150296
methyl 2-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzoate
CID 121150532
(6-methyl-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154781940
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone (CID 121150554) is (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(Oc3nccs3)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The InChIKey is XCPMYGCXUFXCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-3-4-13(9-12(11)2)15(19)18-7-5-14(10-18)20-16-17-6-8-21-16/h3-4,6,8-9,14H,5,7,10H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone has a molecular weight of 302.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).