5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine

C19H20N2S — CID 156849333

IUPAC5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2sc(N)nc2CCc2ccccc2)cc1C
InChIInChI=1S/C19H20N2S/c1-13-8-10-16(12-14(13)2)18-17(21-19(20)22-18)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H2,20,21)
InChIKeyFHONGTHULYYALR-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.79
Rot. Bonds4

About 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine

5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 156849333) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID156849333
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2sc(N)nc2CCc2ccccc2)cc1C
InChIInChI=1S/C19H20N2S/c1-13-8-10-16(12-14(13)2)18-17(21-19(20)22-18)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H2,20,21)
InChIKeyFHONGTHULYYALR-UHFFFAOYSA-N
XLogP4.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine (CID 156849333) is 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine is Cc1ccc(-c2sc(N)nc2CCc2ccccc2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is FHONGTHULYYALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-13-8-10-16(12-14(13)2)18-17(21-19(20)22-18)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H2,20,21).
What are the key properties of 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine?
5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 308.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 156849333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).