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

C19H21FN2S — CID 25002547

IUPACN-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(C(Cc2cccc(F)c2)NC2=NCCS2)c1C
InChIInChI=1S/C19H21FN2S/c1-13-5-3-8-17(14(13)2)18(22-19-21-9-10-23-19)12-15-6-4-7-16(20)11-15/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyWWKJSGNHDVQGTA-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.42
Rot. Bonds4

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

N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 25002547) has the molecular formula C19H21FN2S and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID25002547
Molecular FormulaC19H21FN2S
Molecular Weight328.46 g/mol
Exact Mass328.14
IUPAC NameN-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(C(Cc2cccc(F)c2)NC2=NCCS2)c1C
InChIInChI=1S/C19H21FN2S/c1-13-5-3-8-17(14(13)2)18(22-19-21-9-10-23-19)12-15-6-4-7-16(20)11-15/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyWWKJSGNHDVQGTA-UHFFFAOYSA-N
XLogP4.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 24894132
N-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12623045
N-[1-(1-benzothiophen-4-yl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 58427932
N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 68627681
3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide
CID 176560030
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
[1-(2,4-difluoro-5-methylphenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286436
N-[1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 65306968
N-[1-(3,5-dimethylthiophen-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81156314
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 25002547) is N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc(C(Cc2cccc(F)c2)NC2=NCCS2)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WWKJSGNHDVQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2S/c1-13-5-3-8-17(14(13)2)18(22-19-21-9-10-23-19)12-15-6-4-7-16(20)11-15/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 328.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-2-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 25002547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).