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

C17H16N2S — CID 882224

IUPAC4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(N)sc2-c2ccccc2)cc1C
InChIInChI=1S/C17H16N2S/c1-11-8-9-14(10-12(11)2)15-16(20-17(18)19-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,18,19)
InChIKeyLWBBUCGSHRGUKW-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.68
Rot. Bonds2

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

4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine (PubChem CID 882224) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine
PubChem CID882224
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(N)sc2-c2ccccc2)cc1C
InChIInChI=1S/C17H16N2S/c1-11-8-9-14(10-12(11)2)15-16(20-17(18)19-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,18,19)
InChIKeyLWBBUCGSHRGUKW-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine (CID 882224) is 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine is Cc1ccc(-c2nc(N)sc2-c2ccccc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is LWBBUCGSHRGUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-8-9-14(10-12(11)2)15-16(20-17(18)19-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine?
4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 882224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).