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

C23H20N2S — CID 3721108

IUPACN-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1C
InChIInChI=1S/C23H20N2S/c1-16-8-13-21(14-17(16)2)24-23-25-22(15-26-23)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25)
InChIKeyDGFSDRLKOBCTCO-UHFFFAOYSA-N
MW356.49 g/mol
LogP6.84
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine (PubChem CID 3721108) has the molecular formula C23H20N2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
PubChem CID3721108
Molecular FormulaC23H20N2S
Molecular Weight356.49 g/mol
Exact Mass356.13
IUPAC NameN-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1C
InChIInChI=1S/C23H20N2S/c1-16-8-13-21(14-17(16)2)24-23-25-22(15-26-23)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25)
InChIKeyDGFSDRLKOBCTCO-UHFFFAOYSA-N
XLogP6.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.84
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
CID 753967
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
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
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
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
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine (CID 3721108) is N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DGFSDRLKOBCTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2S/c1-16-8-13-21(14-17(16)2)24-23-25-22(15-26-23)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine has a molecular weight of 356.49 g/mol, XLogP of 6.84, 4 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-(4-phenylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3721108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).