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

C21H18N2S — CID 2132345

IUPACN-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c(C)c1
InChIInChI=1S/C21H18N2S/c1-14-7-10-19(15(2)11-14)22-21-23-20(13-24-21)18-9-8-16-5-3-4-6-17(16)12-18/h3-13H,1-2H3,(H,22,23)
InChIKeyKJNOSWRUSJVZIK-UHFFFAOYSA-N
MW330.46 g/mol
LogP6.32
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 2132345) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID2132345
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC NameN-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c(C)c1
InChIInChI=1S/C21H18N2S/c1-14-7-10-19(15(2)11-14)22-21-23-20(13-24-21)18-9-8-16-5-3-4-6-17(16)12-18/h3-13H,1-2H3,(H,22,23)
InChIKeyKJNOSWRUSJVZIK-UHFFFAOYSA-N
XLogP6.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774081
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166626941
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58911073
4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179844
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127037256
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
CID 972909
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine (CID 2132345) is N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is KJNOSWRUSJVZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-14-7-10-19(15(2)11-14)22-21-23-20(13-24-21)18-9-8-16-5-3-4-6-17(16)12-18/h3-13H,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 330.46 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2132345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).