5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine

C9H12N4OS — CID 66278120

IUPAC5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC(Cc1ccco1)Nc1nc(N)ns1
InChIInChI=1S/C9H12N4OS/c1-6(5-7-3-2-4-14-7)11-9-12-8(10)13-15-9/h2-4,6H,5H2,1H3,(H3,10,11,12,13)
InChIKeyXIPDMKDDYZPJNA-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.76
Rot. Bonds4

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

5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278120) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278120
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC(Cc1ccco1)Nc1nc(N)ns1
InChIInChI=1S/C9H12N4OS/c1-6(5-7-3-2-4-14-7)11-9-12-8(10)13-15-9/h2-4,6H,5H2,1H3,(H3,10,11,12,13)
InChIKeyXIPDMKDDYZPJNA-UHFFFAOYSA-N
XLogP1.76
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
5-N-butan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279643
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine
CID 114053032
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
N-[1-(furan-2-yl)propan-2-yl]-6-hydrazinylpyrazin-2-amine
CID 80896852
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 79525693
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80896927

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine (CID 66278120) is 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine is CC(Cc1ccco1)Nc1nc(N)ns1.
What is the InChIKey of 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is XIPDMKDDYZPJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6(5-7-3-2-4-14-7)11-9-12-8(10)13-15-9/h2-4,6H,5H2,1H3,(H3,10,11,12,13).
What are the key properties of 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 224.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).