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

C7H10F3N3OS — CID 80613732

IUPACN-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-4(7(8,9)10)14-3-5-12-13-6(11-2)15-5/h4H,3H2,1-2H3,(H,11,13)
InChIKeyDEMQANPDJFMBAW-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.05
Rot. Bonds4

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

N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80613732) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80613732
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC NameN-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-4(7(8,9)10)14-3-5-12-13-6(11-2)15-5/h4H,3H2,1-2H3,(H,11,13)
InChIKeyDEMQANPDJFMBAW-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 64983017
N-ethyl-5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607933
N-propyl-5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607934
N-methyl-5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608034
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608925
N-propyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80609009
N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80609010
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80613632
N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80613633
5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80613733
N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80614343
5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614443

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (CID 80613732) is N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is CNc1nnc(COC(C)C(F)(F)F)s1.
What is the InChIKey of N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DEMQANPDJFMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-4(7(8,9)10)14-3-5-12-13-6(11-2)15-5/h4H,3H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 241.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).