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

C8H12F3N3S — CID 114449767

IUPACN-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(C)(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c1-4-7(2,3)12-6-14-13-5(15-6)8(9,10)11/h4H2,1-3H3,(H,12,14)
InChIKeyZQXZRWPWEFLHKH-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.16
Rot. Bonds3

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

N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449767) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449767
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC NameN-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(C)(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c1-4-7(2,3)12-6-14-13-5(15-6)8(9,10)11/h4H2,1-3H3,(H,12,14)
InChIKeyZQXZRWPWEFLHKH-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Thiadiazol-2-amine, 5-trifluoromethyl-N-(1,1-dimethylethyl)-
CID 545453
2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 86800409
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-(2-methylheptan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 137389790
1,3,4-Thiadiazol-2-amine, N-tert-butyl-5-methyl-
CID 575393
5-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 104854452
N-(2-cyclopropylpropan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105779225
2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butane-1,4-diamine
CID 106142398
3-methyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine
CID 106166056
N-(1-chloro-3-methylpentan-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106167755
5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
CID 106214902
5-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
CID 106215010

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449767) is N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCC(C)(C)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZQXZRWPWEFLHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-4-7(2,3)12-6-14-13-5(15-6)8(9,10)11/h4H2,1-3H3,(H,12,14).
What are the key properties of N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 239.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).