1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

C7H7F6N3S — CID 103311216

IUPAC1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H7F6N3S/c1-14-2-3-15-16-5(17-3)4(6(8,9)10)7(11,12)13/h4,14H,2H2,1H3
InChIKeyKVZOTUIVPREXOE-UHFFFAOYSA-N
MW279.21 g/mol
LogP2.47
Rot. Bonds3

About 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (PubChem CID 103311216) has the molecular formula C7H7F6N3S and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
PubChem CID103311216
Molecular FormulaC7H7F6N3S
Molecular Weight279.21 g/mol
Exact Mass279.03
IUPAC Name1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H7F6N3S/c1-14-2-3-15-16-5(17-3)4(6(8,9)10)7(11,12)13/h4,14H,2H2,1H3
InChIKeyKVZOTUIVPREXOE-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (CID 103311216) is 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(C(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The InChIKey is KVZOTUIVPREXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N3S/c1-14-2-3-15-16-5(17-3)4(6(8,9)10)7(11,12)13/h4,14H,2H2,1H3.
What are the key properties of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine has a molecular weight of 279.21 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103311216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).