2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide

C19H23N5O2S — CID 51117199

IUPAC2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
SMILESCc1nc(C2(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)CCCC2)no1
InChIInChI=1S/C19H23N5O2S/c1-12-6-7-13(2)24(12)18-21-15(11-27-18)10-16(25)22-19(8-4-5-9-19)17-20-14(3)26-23-17/h6-7,11H,4-5,8-10H2,1-3H3,(H,22,25)
InChIKeyNRHHMXZATXDGJU-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.37
Rot. Bonds5

About 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide

2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide (PubChem CID 51117199) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
PubChem CID51117199
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
SMILESCc1nc(C2(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)CCCC2)no1
InChIInChI=1S/C19H23N5O2S/c1-12-6-7-13(2)24(12)18-21-15(11-27-18)10-16(25)22-19(8-4-5-9-19)17-20-14(3)26-23-17/h6-7,11H,4-5,8-10H2,1-3H3,(H,22,25)
InChIKeyNRHHMXZATXDGJU-UHFFFAOYSA-N
XLogP3.37
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The IUPAC name of 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide (CID 51117199) is 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The canonical SMILES for 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide is Cc1nc(C2(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)CCCC2)no1.
What is the InChIKey of 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The InChIKey is NRHHMXZATXDGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12-6-7-13(2)24(12)18-21-15(11-27-18)10-16(25)22-19(8-4-5-9-19)17-20-14(3)26-23-17/h6-7,11H,4-5,8-10H2,1-3H3,(H,22,25).
What are the key properties of 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide is sourced from PubChem (CID 51117199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).