3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C9H11N3OS — CID 65268823

IUPAC3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(-c2ccco2)ns1
InChIInChI=1S/C9H11N3OS/c1-6(2)10-9-11-8(12-14-9)7-4-3-5-13-7/h3-6H,1-2H3,(H,10,11,12)
InChIKeyRISUFGPEGBXQER-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.62
Rot. Bonds3

About 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268823) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268823
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(-c2ccco2)ns1
InChIInChI=1S/C9H11N3OS/c1-6(2)10-9-11-8(12-14-9)7-4-3-5-13-7/h3-6H,1-2H3,(H,10,11,12)
InChIKeyRISUFGPEGBXQER-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65268823) is 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(-c2ccco2)ns1.
What is the InChIKey of 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is RISUFGPEGBXQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6(2)10-9-11-8(12-14-9)7-4-3-5-13-7/h3-6H,1-2H3,(H,10,11,12).
What are the key properties of 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 209.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).