N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C20H23FN2OS — CID 59223272

IUPACN-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1C(Cc1cc(C)cc(C)c1)NC1=NCCS1
InChIInChI=1S/C20H23FN2OS/c1-13-8-14(2)10-15(9-13)11-18(23-20-22-6-7-25-20)17-12-16(21)4-5-19(17)24-3/h4-5,8-10,12,18H,6-7,11H2,1-3H3,(H,22,23)
InChIKeyLGEIRCPERXOGAR-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.43
Rot. Bonds5

About N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 59223272) has the molecular formula C20H23FN2OS and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID59223272
Molecular FormulaC20H23FN2OS
Molecular Weight358.48 g/mol
Exact Mass358.15
IUPAC NameN-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1C(Cc1cc(C)cc(C)c1)NC1=NCCS1
InChIInChI=1S/C20H23FN2OS/c1-13-8-14(2)10-15(9-13)11-18(23-20-22-6-7-25-20)17-12-16(21)4-5-19(17)24-3/h4-5,8-10,12,18H,6-7,11H2,1-3H3,(H,22,23)
InChIKeyLGEIRCPERXOGAR-UHFFFAOYSA-N
XLogP4.43
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 59223272) is N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(F)cc1C(Cc1cc(C)cc(C)c1)NC1=NCCS1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LGEIRCPERXOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2OS/c1-13-8-14(2)10-15(9-13)11-18(23-20-22-6-7-25-20)17-12-16(21)4-5-19(17)24-3/h4-5,8-10,12,18H,6-7,11H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 358.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 59223272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).