1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine

C15H18F2N2OS — CID 103787139

IUPAC1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C15H18F2N2OS/c1-3-13-8-19-14(21-13)9-18-10(2)11-4-6-12(7-5-11)20-15(16)17/h4-8,10,15,18H,3,9H2,1-2H3
InChIKeyJGWHUKVVOWIANR-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.16
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine

1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 103787139) has the molecular formula C15H18F2N2OS and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID103787139
Molecular FormulaC15H18F2N2OS
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C15H18F2N2OS/c1-3-13-8-19-14(21-13)9-18-10(2)11-4-6-12(7-5-11)20-15(16)17/h4-8,10,15,18H,3,9H2,1-2H3
InChIKeyJGWHUKVVOWIANR-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60983008
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883371
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 60982900
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62998835
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
4-[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethyl]benzonitrile
CID 55025430
1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305824

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 103787139) is 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine is CCc1cnc(CNC(C)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is JGWHUKVVOWIANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-3-13-8-19-14(21-13)9-18-10(2)11-4-6-12(7-5-11)20-15(16)17/h4-8,10,15,18H,3,9H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 312.39 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103787139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).