(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H17N5O2S — CID 91905630

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3noc(-c4ccccn4)n3)C2)s1
InChIInChI=1S/C17H17N5O2S/c1-10-14(25-11(2)19-10)17(23)22-8-6-12(9-22)15-20-16(24-21-15)13-5-3-4-7-18-13/h3-5,7,12H,6,8-9H2,1-2H3
InChIKeyNYKKXPCEZAJVPT-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.83
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 91905630) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID91905630
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3noc(-c4ccccn4)n3)C2)s1
InChIInChI=1S/C17H17N5O2S/c1-10-14(25-11(2)19-10)17(23)22-8-6-12(9-22)15-20-16(24-21-15)13-5-3-4-7-18-13/h3-5,7,12H,6,8-9H2,1-2H3
InChIKeyNYKKXPCEZAJVPT-UHFFFAOYSA-N
XLogP2.83
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 91905630) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(c3noc(-c4ccccn4)n3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NYKKXPCEZAJVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-14(25-11(2)19-10)17(23)22-8-6-12(9-22)15-20-16(24-21-15)13-5-3-4-7-18-13/h3-5,7,12H,6,8-9H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 355.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91905630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).