5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid

C9H9N3O3S2 — CID 61285924

IUPAC5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CSc2nnc(N)s2)oc1C(=O)O
InChIInChI=1S/C9H9N3O3S2/c1-4-2-5(15-6(4)7(13)14)3-16-9-12-11-8(10)17-9/h2H,3H2,1H3,(H2,10,11)(H,13,14)
InChIKeyUEEPWVXQVBXRLX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.01
Rot. Bonds4

About 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid

5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid (PubChem CID 61285924) has the molecular formula C9H9N3O3S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
PubChem CID61285924
Molecular FormulaC9H9N3O3S2
Molecular Weight271.32 g/mol
Exact Mass271.01
IUPAC Name5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CSc2nnc(N)s2)oc1C(=O)O
InChIInChI=1S/C9H9N3O3S2/c1-4-2-5(15-6(4)7(13)14)3-16-9-12-11-8(10)17-9/h2H,3H2,1H3,(H2,10,11)(H,13,14)
InChIKeyUEEPWVXQVBXRLX-UHFFFAOYSA-N
XLogP2.01
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid (CID 61285924) is 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CSc2nnc(N)s2)oc1C(=O)O.
What is the InChIKey of 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is UEEPWVXQVBXRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S2/c1-4-2-5(15-6(4)7(13)14)3-16-9-12-11-8(10)17-9/h2H,3H2,1H3,(H2,10,11)(H,13,14).
What are the key properties of 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid?
5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 61285924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).