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

C9H11N3OS — CID 130917762

IUPACN-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine
SMILESCC(Cc1ccoc1)Nc1ncns1
InChIInChI=1S/C9H11N3OS/c1-7(4-8-2-3-13-5-8)12-9-10-6-11-14-9/h2-3,5-7H,4H2,1H3,(H,10,11,12)
InChIKeyQDEXOIGRCQGWDZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.17
Rot. Bonds4

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

N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 130917762) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine
PubChem CID130917762
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine
SMILESCC(Cc1ccoc1)Nc1ncns1
InChIInChI=1S/C9H11N3OS/c1-7(4-8-2-3-13-5-8)12-9-10-6-11-14-9/h2-3,5-7H,4H2,1H3,(H,10,11,12)
InChIKeyQDEXOIGRCQGWDZ-UHFFFAOYSA-N
XLogP2.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine (CID 130917762) is N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine is CC(Cc1ccoc1)Nc1ncns1.
What is the InChIKey of N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is QDEXOIGRCQGWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-7(4-8-2-3-13-5-8)12-9-10-6-11-14-9/h2-3,5-7H,4H2,1H3,(H,10,11,12).
What are the key properties of N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine?
N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 209.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)propan-2-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130917762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).