1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine

C14H16F2N2O2S — CID 64542879

IUPAC1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(-c2ccc(OC)c(OC(F)F)c2)n1
InChIInChI=1S/C14H16F2N2O2S/c1-8(17-2)10-7-21-13(18-10)9-4-5-11(19-3)12(6-9)20-14(15)16/h4-8,14,17H,1-3H3
InChIKeyYVHLOLADGKQHMU-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.70
Rot. Bonds6

About 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 64542879) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID64542879
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(-c2ccc(OC)c(OC(F)F)c2)n1
InChIInChI=1S/C14H16F2N2O2S/c1-8(17-2)10-7-21-13(18-10)9-4-5-11(19-3)12(6-9)20-14(15)16/h4-8,14,17H,1-3H3
InChIKeyYVHLOLADGKQHMU-UHFFFAOYSA-N
XLogP3.70
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine (CID 64542879) is 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(-c2ccc(OC)c(OC(F)F)c2)n1.
What is the InChIKey of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is YVHLOLADGKQHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c1-8(17-2)10-7-21-13(18-10)9-4-5-11(19-3)12(6-9)20-14(15)16/h4-8,14,17H,1-3H3.
What are the key properties of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 314.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 64542879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).