N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

C8H12F3N3OS — CID 80613632

IUPACN-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c1-3-12-7-14-13-6(16-7)4-15-5(2)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyZXPBWVZVXZVRTP-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.44
Rot. Bonds5

About N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80613632) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80613632
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC NameN-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c1-3-12-7-14-13-6(16-7)4-15-5(2)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyZXPBWVZVXZVRTP-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (CID 80613632) is N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(COC(C)C(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZXPBWVZVXZVRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-3-12-7-14-13-6(16-7)4-15-5(2)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 255.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).