N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C7H10F3N3S — CID 545453

IUPACN-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S/c1-6(2,3)11-5-13-12-4(14-5)7(8,9)10/h1-3H3,(H,11,13)
InChIKeyXQENPCLOYYNPLH-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.77
Rot. Bonds1

About N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 545453) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID545453
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC NameN-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S/c1-6(2,3)11-5-13-12-4(14-5)7(8,9)10/h1-3H3,(H,11,13)
InChIKeyXQENPCLOYYNPLH-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 13229757
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545056
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
1,3,4-Thiadiazol-2-amine, N-tert-butyl-5-methyl-
CID 575393
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroethanethioamide
CID 101159965
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
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
N-(3-methylpentan-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106329757

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 545453) is N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(C)(C)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XQENPCLOYYNPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-6(2,3)11-5-13-12-4(14-5)7(8,9)10/h1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 225.24 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 545453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).