4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine

C10H16F3N3S — CID 105156395

IUPAC4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1snnc1C
InChIInChI=1S/C10H16F3N3S/c1-3-6-14-8(4-5-10(11,12)13)9-7(2)15-16-17-9/h8,14H,3-6H2,1-2H3
InChIKeyLXSUZCMUDBNDQH-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.23
Rot. Bonds6

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

4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine (PubChem CID 105156395) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
PubChem CID105156395
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1snnc1C
InChIInChI=1S/C10H16F3N3S/c1-3-6-14-8(4-5-10(11,12)13)9-7(2)15-16-17-9/h8,14H,3-6H2,1-2H3
InChIKeyLXSUZCMUDBNDQH-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine (CID 105156395) is 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1snnc1C.
What is the InChIKey of 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine?
The InChIKey is LXSUZCMUDBNDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-3-6-14-8(4-5-10(11,12)13)9-7(2)15-16-17-9/h8,14H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 3.23, 6 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)-N-propylbutan-1-amine is sourced from PubChem (CID 105156395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).