N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C13H15N5O2S — CID 104970843

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H15N5O2S/c19-11(17-13-15-7-3-1-5-9(7)21-13)10-16-12(20-18-10)8-4-2-6-14-8/h8,14H,1-6H2,(H,15,17,19)
InChIKeyHGBQRABEHTXBBR-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.69
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970843) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970843
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H15N5O2S/c19-11(17-13-15-7-3-1-5-9(7)21-13)10-16-12(20-18-10)8-4-2-6-14-8/h8,14H,1-6H2,(H,15,17,19)
InChIKeyHGBQRABEHTXBBR-UHFFFAOYSA-N
XLogP1.69
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970843) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(Nc1nc2c(s1)CCC2)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is HGBQRABEHTXBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c19-11(17-13-15-7-3-1-5-9(7)21-13)10-16-12(20-18-10)8-4-2-6-14-8/h8,14H,1-6H2,(H,15,17,19).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).