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

C7H7F3N6S — CID 104925136

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1cnc(CNc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C7H7F3N6S/c1-16-3-12-4(15-16)2-11-6-14-13-5(17-6)7(8,9)10/h3H,2H2,1H3,(H,11,14)
InChIKeyDRFOLVGBFUEVIL-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.30
Rot. Bonds3

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

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104925136) has the molecular formula C7H7F3N6S and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104925136
Molecular FormulaC7H7F3N6S
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1cnc(CNc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C7H7F3N6S/c1-16-3-12-4(15-16)2-11-6-14-13-5(17-6)7(8,9)10/h3H,2H2,1H3,(H,11,14)
InChIKeyDRFOLVGBFUEVIL-UHFFFAOYSA-N
XLogP1.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599696
4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 103883690
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 59539259
N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113353604
N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449645
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 107463509
N-[(4-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 115912801
N-[(2,5-dimethylfuran-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75521951
5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114126513
N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448040
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448606
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106374365

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104925136) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cn1cnc(CNc2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DRFOLVGBFUEVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N6S/c1-16-3-12-4(15-16)2-11-6-14-13-5(17-6)7(8,9)10/h3H,2H2,1H3,(H,11,14).
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 264.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104925136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).