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

C19H21FN2OS — CID 59223254

IUPACN-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1C(Cc1cccc(C)c1)NC1=NCCS1
InChIInChI=1S/C19H21FN2OS/c1-13-4-3-5-14(10-13)11-17(22-19-21-8-9-24-19)16-12-15(20)6-7-18(16)23-2/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,21,22)
InChIKeyVSCHRVSZZXXERV-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.12
Rot. Bonds5

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

N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 59223254) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID59223254
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1C(Cc1cccc(C)c1)NC1=NCCS1
InChIInChI=1S/C19H21FN2OS/c1-13-4-3-5-14(10-13)11-17(22-19-21-8-9-24-19)16-12-15(20)6-7-18(16)23-2/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,21,22)
InChIKeyVSCHRVSZZXXERV-UHFFFAOYSA-N
XLogP4.12
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 59223254) is N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(F)cc1C(Cc1cccc(C)c1)NC1=NCCS1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VSCHRVSZZXXERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-13-4-3-5-14(10-13)11-17(22-19-21-8-9-24-19)16-12-15(20)6-7-18(16)23-2/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 344.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 59223254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).