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

C6H8F3N3OS — CID 80609010

IUPACN-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3OS/c1-10-5-12-11-4(14-5)2-13-3-6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyHVJVZXBIORWAOP-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.66
Rot. Bonds4

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

N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80609010) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80609010
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC NameN-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3OS/c1-10-5-12-11-4(14-5)2-13-3-6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyHVJVZXBIORWAOP-UHFFFAOYSA-N
XLogP1.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80609010) is N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine is CNc1nnc(COCC(F)(F)F)s1.
What is the InChIKey of N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HVJVZXBIORWAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c1-10-5-12-11-4(14-5)2-13-3-6(7,8)9/h2-3H2,1H3,(H,10,12).
What are the key properties of N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 227.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80609010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).