1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone

C16H15N3O2S — CID 121150506

IUPAC1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C16H15N3O2S/c20-15(12-1-2-14-11(9-12)3-5-17-14)19-7-4-13(10-19)21-16-18-6-8-22-16/h1-3,5-6,8-9,13,17H,4,7,10H2
InChIKeySXZOGXVMEXDTHS-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.92
Rot. Bonds3

About 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone

1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone (PubChem CID 121150506) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
PubChem CID121150506
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C16H15N3O2S/c20-15(12-1-2-14-11(9-12)3-5-17-14)19-7-4-13(10-19)21-16-18-6-8-22-16/h1-3,5-6,8-9,13,17H,4,7,10H2
InChIKeySXZOGXVMEXDTHS-UHFFFAOYSA-N
XLogP2.92
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576
4-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzonitrile
CID 121150315
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121150557
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
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]-(2,4,6-trimethylphenyl)methanone
CID 121150333
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122259448
4-[1-(1H-indole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256871
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone (CID 121150506) is 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone is O=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2nccs2)C1.
What is the InChIKey of 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The InChIKey is SXZOGXVMEXDTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15(12-1-2-14-11(9-12)3-5-17-14)19-7-4-13(10-19)21-16-18-6-8-22-16/h1-3,5-6,8-9,13,17H,4,7,10H2.
What are the key properties of 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone has a molecular weight of 313.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).