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

C17H16N2S — CID 753967

IUPACN-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C17H16N2S/c1-12-8-9-15(10-13(12)2)18-17-19-16(11-20-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19)
InChIKeyXTBIIAXZGBLOCD-UHFFFAOYSA-N
MW280.40 g/mol
LogP5.17
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 753967) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID753967
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC NameN-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C17H16N2S/c1-12-8-9-15(10-13(12)2)18-17-19-16(11-20-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19)
InChIKeyXTBIIAXZGBLOCD-UHFFFAOYSA-N
XLogP5.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 1412311
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine (CID 753967) is N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccccc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is XTBIIAXZGBLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-8-9-15(10-13(12)2)18-17-19-16(11-20-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine?
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 753967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).