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

C8H12F2N2S — CID 84779096

IUPAC1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C8H12F2N2S/c1-5-7(8(2,9)10)13-6(12-5)4-11-3/h11H,4H2,1-3H3
InChIKeyALVNDYDEQUOUQM-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.28
Rot. Bonds3

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

1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 84779096) has the molecular formula C8H12F2N2S and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID84779096
Molecular FormulaC8H12F2N2S
Molecular Weight206.26 g/mol
Exact Mass206.07
IUPAC Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C8H12F2N2S/c1-5-7(8(2,9)10)13-6(12-5)4-11-3/h11H,4H2,1-3H3
InChIKeyALVNDYDEQUOUQM-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine (CID 84779096) is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(C)c(C(C)(F)F)s1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is ALVNDYDEQUOUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2S/c1-5-7(8(2,9)10)13-6(12-5)4-11-3/h11H,4H2,1-3H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 206.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84779096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).