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

C6H9F2N3S — CID 130624596

IUPAC1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C(C)(F)F)s1
InChIInChI=1S/C6H9F2N3S/c1-6(7,8)5-11-10-4(12-5)3-9-2/h9H,3H2,1-2H3
InChIKeyPQROIBPUPACOJW-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.37
Rot. Bonds3

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

1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (PubChem CID 130624596) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
PubChem CID130624596
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC Name1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C(C)(F)F)s1
InChIInChI=1S/C6H9F2N3S/c1-6(7,8)5-11-10-4(12-5)3-9-2/h9H,3H2,1-2H3
InChIKeyPQROIBPUPACOJW-UHFFFAOYSA-N
XLogP1.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amine
CID 65704784
N'-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]ethane-1,2-diamine
CID 70458373
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82657787
(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 96858366
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 65703343
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 65703877
N-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 65704031
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 65704268
N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65704536
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65704583
N-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 65704824
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 65705007

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (CID 130624596) is 1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(C(C)(F)F)s1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The InChIKey is PQROIBPUPACOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-6(7,8)5-11-10-4(12-5)3-9-2/h9H,3H2,1-2H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine has a molecular weight of 193.22 g/mol, XLogP of 1.37, 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-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 130624596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).