2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

C10H16F3N3OS — CID 80620414

IUPAC2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC(Oc1nnc(CNC(C)(C)C)s1)C(F)(F)F
InChIInChI=1S/C10H16F3N3OS/c1-6(10(11,12)13)17-8-16-15-7(18-8)5-14-9(2,3)4/h6,14H,5H2,1-4H3
InChIKeyRNKBVUIZODNYBQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.76
Rot. Bonds4

About 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (PubChem CID 80620414) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
PubChem CID80620414
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC(Oc1nnc(CNC(C)(C)C)s1)C(F)(F)F
InChIInChI=1S/C10H16F3N3OS/c1-6(10(11,12)13)17-8-16-15-7(18-8)5-14-9(2,3)4/h6,14H,5H2,1-4H3
InChIKeyRNKBVUIZODNYBQ-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (CID 80620414) is 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is CC(Oc1nnc(CNC(C)(C)C)s1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is RNKBVUIZODNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-6(10(11,12)13)17-8-16-15-7(18-8)5-14-9(2,3)4/h6,14H,5H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 283.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80620414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).