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

C9H8F3N3OS — CID 107304913

IUPACN-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(CNc2nc(C(F)(F)F)ns2)o1
InChIInChI=1S/C9H8F3N3OS/c1-5-2-3-6(16-5)4-13-8-14-7(15-17-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyPYAAXKJPUVWPCS-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.07
Rot. Bonds3

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

N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304913) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304913
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(CNc2nc(C(F)(F)F)ns2)o1
InChIInChI=1S/C9H8F3N3OS/c1-5-2-3-6(16-5)4-13-8-14-7(15-17-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyPYAAXKJPUVWPCS-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl)furan-2-carboxamide
CID 2112169
N-[(5-methylfuran-2-yl)methyl]-4-pyrrolidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58039494
3-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 8064982
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 86795171
2-Methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid
CID 107304292
5-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-2-carboxylic acid
CID 107304396
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304641
N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304718
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304876
N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943928
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304913) is N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is Cc1ccc(CNc2nc(C(F)(F)F)ns2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PYAAXKJPUVWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c1-5-2-3-6(16-5)4-13-8-14-7(15-17-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,15).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).