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

C9H8F3N3OS — CID 107304718

IUPACN-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C(F)(F)F)ns1)c1ccco1
InChIInChI=1S/C9H8F3N3OS/c1-5(6-3-2-4-16-6)13-8-14-7(15-17-8)9(10,11)12/h2-5H,1H3,(H,13,14,15)
InChIKeyDIFYHVWNZDQNBC-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.32
Rot. Bonds3

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

N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304718) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304718
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C(F)(F)F)ns1)c1ccco1
InChIInChI=1S/C9H8F3N3OS/c1-5(6-3-2-4-16-6)13-8-14-7(15-17-8)9(10,11)12/h2-5H,1H3,(H,13,14,15)
InChIKeyDIFYHVWNZDQNBC-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 8064982
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8411449
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 78687950
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304641
N-[4-(furan-2-yl)butan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304859
N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304913
N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943928
N-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943930
N-[1-(5-methylfuran-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943931
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 121538105
N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 124880308
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 124880309

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304718) is N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C(F)(F)F)ns1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DIFYHVWNZDQNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c1-5(6-3-2-4-16-6)13-8-14-7(15-17-8)9(10,11)12/h2-5H,1H3,(H,13,14,15).
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).