N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H12F3N3OS — CID 107304991

IUPACN-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCC(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-5(3-4-15-2)12-7-13-6(14-16-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySZRZTZSHFRBECA-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.39
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304991) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304991
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC NameN-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCC(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-5(3-4-15-2)12-7-13-6(14-16-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySZRZTZSHFRBECA-UHFFFAOYSA-N
XLogP2.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304991) is N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is COCCC(C)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SZRZTZSHFRBECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-5(3-4-15-2)12-7-13-6(14-16-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 255.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).