4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine

C7H10F3N3S — CID 105156486

IUPAC4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine
SMILESCc1nnsc1C(N)CCC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-4-6(14-13-12-4)5(11)2-3-7(8,9)10/h5H,2-3,11H2,1H3
InChIKeyZNMZKJRHMIPULM-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.19
Rot. Bonds3

About 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine

4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine (PubChem CID 105156486) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine
PubChem CID105156486
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine
SMILESCc1nnsc1C(N)CCC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-4-6(14-13-12-4)5(11)2-3-7(8,9)10/h5H,2-3,11H2,1H3
InChIKeyZNMZKJRHMIPULM-UHFFFAOYSA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 65205258
1-(4-Ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156248
1-(4-Tert-butylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156283
4,4,4-Trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105156284
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156289
N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156295
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-ethyl-4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156358
4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156395
4,4,4-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156400
4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156401
4,4,4-trifluoro-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105156416

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine (CID 105156486) is 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine is Cc1nnsc1C(N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The InChIKey is ZNMZKJRHMIPULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-4-6(14-13-12-4)5(11)2-3-7(8,9)10/h5H,2-3,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine?
4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105156486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).