ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid

C10H12N2O3S — CID 142287345

IUPACethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid
SMILESCC.Cc1nnc(-c2ccc(C(=O)O)s2)o1
InChIInChI=1S/C8H6N2O3S.C2H6/c1-4-9-10-7(13-4)5-2-3-6(14-5)8(11)12;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyKEBDNUBVJPYCSR-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.83
Rot. Bonds2

About ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid

ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid (PubChem CID 142287345) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Nameethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid
PubChem CID142287345
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Nameethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid
SMILESCC.Cc1nnc(-c2ccc(C(=O)O)s2)o1
InChIInChI=1S/C8H6N2O3S.C2H6/c1-4-9-10-7(13-4)5-2-3-6(14-5)8(11)12;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyKEBDNUBVJPYCSR-UHFFFAOYSA-N
XLogP2.83
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid
CID 131191331
5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619407
5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid
CID 90124228
5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid
CID 18801314
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carboxylic acid
CID 13413513
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 158204466
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 114770890
methyl 5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxylate
CID 14871937

Frequently Asked Questions

What is the IUPAC name of ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid (CID 142287345) is ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid is CC.Cc1nnc(-c2ccc(C(=O)O)s2)o1.
What is the InChIKey of ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid?
The InChIKey is KEBDNUBVJPYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S.C2H6/c1-4-9-10-7(13-4)5-2-3-6(14-5)8(11)12;1-2/h2-3H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid?
ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 142287345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).