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

C16H15N5O2S — CID 121150998

IUPAC[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Oc2nccs2)cc1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C16H15N5O2S/c22-15(20-8-5-13(11-20)21-9-6-18-19-21)12-1-3-14(4-2-12)23-16-17-7-10-24-16/h1-4,6-7,9-10,13H,5,8,11H2
InChIKeyIXDRDRNCWMJYBU-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.61
Rot. Bonds4

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

[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121150998) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121150998
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Oc2nccs2)cc1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C16H15N5O2S/c22-15(20-8-5-13(11-20)21-9-6-18-19-21)12-1-3-14(4-2-12)23-16-17-7-10-24-16/h1-4,6-7,9-10,13H,5,8,11H2
InChIKeyIXDRDRNCWMJYBU-UHFFFAOYSA-N
XLogP2.61
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
(4-thiophen-3-ylphenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877323
(4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 121187064
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 121152221
3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150916
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91625210
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150299

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (CID 121150998) is [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Oc2nccs2)cc1)N1CCC(n2ccnn2)C1.
What is the InChIKey of [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IXDRDRNCWMJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15(20-8-5-13(11-20)21-9-6-18-19-21)12-1-3-14(4-2-12)23-16-17-7-10-24-16/h1-4,6-7,9-10,13H,5,8,11H2.
What are the key properties of [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).