5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid

C10H9N3O3S — CID 112632061

IUPAC5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2NCCc3sccc32)n1
InChIInChI=1S/C10H9N3O3S/c14-10(15)8-12-9(16-13-8)7-5-2-4-17-6(5)1-3-11-7/h2,4,7,11H,1,3H2,(H,14,15)
InChIKeyLKPMFDREVXVEIP-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.06
Rot. Bonds2

About 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112632061) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112632061
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2NCCc3sccc32)n1
InChIInChI=1S/C10H9N3O3S/c14-10(15)8-12-9(16-13-8)7-5-2-4-17-6(5)1-3-11-7/h2,4,7,11H,1,3H2,(H,14,15)
InChIKeyLKPMFDREVXVEIP-UHFFFAOYSA-N
XLogP1.06
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid with MolForge

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Related Compounds

3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 115528900
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 62797030
7-bromo-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,3-benzoxazole
CID 81496252
5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 79211746
5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631759
4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165477878
5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 112631757
acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran
CID 21423152
(4S)-4-(4-nitrophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7062069
2-(2-chlorophenyl)-2-[(4S)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl]acetic acid
CID 69321795
4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62721784

Frequently Asked Questions

What is the IUPAC name of 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 112632061) is 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(C2NCCc3sccc32)n1.
What is the InChIKey of 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is LKPMFDREVXVEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-10(15)8-12-9(16-13-8)7-5-2-4-17-6(5)1-3-11-7/h2,4,7,11H,1,3H2,(H,14,15).
What are the key properties of 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 251.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112632061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).