1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C14H16F2N2O2S — CID 63280329

IUPAC1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2scnc2C)c1OC(F)F
InChIInChI=1S/C14H16F2N2O2S/c1-9-12(21-8-18-9)7-17-6-10-4-3-5-11(19-2)13(10)20-14(15)16/h3-5,8,14,17H,6-7H2,1-2H3
InChIKeyKQQQBRWYLXAHRE-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.35
Rot. Bonds7

About 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 63280329) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID63280329
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2scnc2C)c1OC(F)F
InChIInChI=1S/C14H16F2N2O2S/c1-9-12(21-8-18-9)7-17-6-10-4-3-5-11(19-2)13(10)20-14(15)16/h3-5,8,14,17H,6-7H2,1-2H3
InChIKeyKQQQBRWYLXAHRE-UHFFFAOYSA-N
XLogP3.35
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 63280329) is 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is COc1cccc(CNCc2scnc2C)c1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is KQQQBRWYLXAHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c1-9-12(21-8-18-9)7-17-6-10-4-3-5-11(19-2)13(10)20-14(15)16/h3-5,8,14,17H,6-7H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 314.36 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 63280329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).