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

C21H26N2S — CID 24894132

IUPACN-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C)c2C)c1
InChIInChI=1S/C21H26N2S/c1-14-10-15(2)12-18(11-14)13-20(23-21-22-8-9-24-21)19-7-5-6-16(3)17(19)4/h5-7,10-12,20H,8-9,13H2,1-4H3,(H,22,23)
InChIKeyREAVUPQUTRQOII-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.90
Rot. Bonds4

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

N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 24894132) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID24894132
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC NameN-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C)c2C)c1
InChIInChI=1S/C21H26N2S/c1-14-10-15(2)12-18(11-14)13-20(23-21-22-8-9-24-21)19-7-5-6-16(3)17(19)4/h5-7,10-12,20H,8-9,13H2,1-4H3,(H,22,23)
InChIKeyREAVUPQUTRQOII-UHFFFAOYSA-N
XLogP4.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 24894132) is N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C)c2C)c1.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is REAVUPQUTRQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c1-14-10-15(2)12-18(11-14)13-20(23-21-22-8-9-24-21)19-7-5-6-16(3)17(19)4/h5-7,10-12,20H,8-9,13H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(2,3-dimethylphenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 338.52 g/mol, XLogP of 4.90, 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-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 24894132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).