[4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine

C14H16F2N2O2S — CID 61330660

IUPAC[4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCOc1cc(C(N)c2nc(C)cs2)ccc1OC(F)F
InChIInChI=1S/C14H16F2N2O2S/c1-3-19-11-6-9(4-5-10(11)20-14(15)16)12(17)13-18-8(2)7-21-13/h4-7,12,14H,3,17H2,1-2H3
InChIKeyQLQGNUJFIIASOF-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.50
Rot. Bonds6

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

[4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 61330660) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID61330660
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name[4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCOc1cc(C(N)c2nc(C)cs2)ccc1OC(F)F
InChIInChI=1S/C14H16F2N2O2S/c1-3-19-11-6-9(4-5-10(11)20-14(15)16)12(17)13-18-8(2)7-21-13/h4-7,12,14H,3,17H2,1-2H3
InChIKeyQLQGNUJFIIASOF-UHFFFAOYSA-N
XLogP3.50
TPSA57.37 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 61330660) is [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine is CCOc1cc(C(N)c2nc(C)cs2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is QLQGNUJFIIASOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c1-3-19-11-6-9(4-5-10(11)20-14(15)16)12(17)13-18-8(2)7-21-13/h4-7,12,14H,3,17H2,1-2H3.
What are the key properties of [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
[4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 314.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61330660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).