[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

C18H15N5O2S — CID 39975800

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCC[C@H]1c1nnc2ccccn12
InChIInChI=1S/C18H15N5O2S/c24-18(12-11-26-17(19-12)14-6-4-10-25-14)22-9-3-5-13(22)16-21-20-15-7-1-2-8-23(15)16/h1-2,4,6-8,10-11,13H,3,5,9H2/t13-/m0/s1
InChIKeyUUVPZTDEQUXFDQ-ZDUSSCGKSA-N
MW365.42 g/mol
LogP3.42
Rot. Bonds3

About [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 39975800) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID39975800
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCC[C@H]1c1nnc2ccccn12
InChIInChI=1S/C18H15N5O2S/c24-18(12-11-26-17(19-12)14-6-4-10-25-14)22-9-3-5-13(22)16-21-20-15-7-1-2-8-23(15)16/h1-2,4,6-8,10-11,13H,3,5,9H2/t13-/m0/s1
InChIKeyUUVPZTDEQUXFDQ-ZDUSSCGKSA-N
XLogP3.42
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 87032302
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 37342266
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 55555295
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51926476
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
(2,5-dimethylthiophen-3-yl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51648513
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 56811264
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95299285
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 36708538
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759229

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 39975800) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(c1csc(-c2ccco2)n1)N1CCC[C@H]1c1nnc2ccccn12.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UUVPZTDEQUXFDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-18(12-11-26-17(19-12)14-6-4-10-25-14)22-9-3-5-13(22)16-21-20-15-7-1-2-8-23(15)16/h1-2,4,6-8,10-11,13H,3,5,9H2/t13-/m0/s1.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 365.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 39975800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).