N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C14H16F2N2OS — CID 43670220

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C14H16F2N2OS/c1-9(13-8-20-10(2)18-13)17-7-11-3-5-12(6-4-11)19-14(15)16/h3-6,8-9,14,17H,7H2,1-2H3
InChIKeyOXADIGXCQZCLOY-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.90
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 43670220) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID43670220
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C14H16F2N2OS/c1-9(13-8-20-10(2)18-13)17-7-11-3-5-12(6-4-11)19-14(15)16/h3-6,8-9,14,17H,7H2,1-2H3
InChIKeyOXADIGXCQZCLOY-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 43670220) is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCc2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is OXADIGXCQZCLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c1-9(13-8-20-10(2)18-13)17-7-11-3-5-12(6-4-11)19-14(15)16/h3-6,8-9,14,17H,7H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 298.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 43670220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).