1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine

C14H16F2N2OS — CID 61331924

IUPAC1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1nc(C)c(C)s1)c1ccccc1OC(F)F
InChIInChI=1S/C14H16F2N2OS/c1-8-9(2)20-13(18-8)12(17-3)10-6-4-5-7-11(10)19-14(15)16/h4-7,12,14,17H,1-3H3
InChIKeyZNRPAMAIWJHJJZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine

1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine (PubChem CID 61331924) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
PubChem CID61331924
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1nc(C)c(C)s1)c1ccccc1OC(F)F
InChIInChI=1S/C14H16F2N2OS/c1-8-9(2)20-13(18-8)12(17-3)10-6-4-5-7-11(10)19-14(15)16/h4-7,12,14,17H,1-3H3
InChIKeyZNRPAMAIWJHJJZ-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine (CID 61331924) is 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine is CNC(c1nc(C)c(C)s1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The InChIKey is ZNRPAMAIWJHJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c1-8-9(2)20-13(18-8)12(17-3)10-6-4-5-7-11(10)19-14(15)16/h4-7,12,14,17H,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?
1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine has a molecular weight of 298.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 61331924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).