2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C11H12N4O3S — CID 113395752

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCc1noc(CNc2nc3c(s2)CCC3C(=O)O)n1
InChIInChI=1S/C11H12N4O3S/c1-5-13-8(18-15-5)4-12-11-14-9-6(10(16)17)2-3-7(9)19-11/h6H,2-4H2,1H3,(H,12,14)(H,16,17)
InChIKeyHIYAPELXOLEMGP-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.56
Rot. Bonds4

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 113395752) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID113395752
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCc1noc(CNc2nc3c(s2)CCC3C(=O)O)n1
InChIInChI=1S/C11H12N4O3S/c1-5-13-8(18-15-5)4-12-11-14-9-6(10(16)17)2-3-7(9)19-11/h6H,2-4H2,1H3,(H,12,14)(H,16,17)
InChIKeyHIYAPELXOLEMGP-UHFFFAOYSA-N
XLogP1.56
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 113395752) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is Cc1noc(CNc2nc3c(s2)CCC3C(=O)O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is HIYAPELXOLEMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-5-13-8(18-15-5)4-12-11-14-9-6(10(16)17)2-3-7(9)19-11/h6H,2-4H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 113395752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).