4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine

C19H11Cl3N2S — CID 58911073

IUPAC4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1cc(Cl)c(Nc2nc(-c3ccc4ccccc4c3)cs2)c(Cl)c1
InChIInChI=1S/C19H11Cl3N2S/c20-14-8-15(21)18(16(22)9-14)24-19-23-17(10-25-19)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,23,24)
InChIKeyXZLCFBOFCNUQJA-UHFFFAOYSA-N
MW405.74 g/mol
LogP7.67
Rot. Bonds3

About 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine

4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 58911073) has the molecular formula C19H11Cl3N2S and a molecular weight of 405.74 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
PubChem CID58911073
Molecular FormulaC19H11Cl3N2S
Molecular Weight405.74 g/mol
Exact Mass403.97
IUPAC Name4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1cc(Cl)c(Nc2nc(-c3ccc4ccccc4c3)cs2)c(Cl)c1
InChIInChI=1S/C19H11Cl3N2S/c20-14-8-15(21)18(16(22)9-14)24-19-23-17(10-25-19)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,23,24)
InChIKeyXZLCFBOFCNUQJA-UHFFFAOYSA-N
XLogP7.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.74
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 151197403
N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774081
N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774105
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
3-(3,5-dichloro-2-methoxyphenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5218469
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910643
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 21235330
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine (CID 58911073) is 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine is Clc1cc(Cl)c(Nc2nc(-c3ccc4ccccc4c3)cs2)c(Cl)c1.
What is the InChIKey of 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is XZLCFBOFCNUQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N2S/c20-14-8-15(21)18(16(22)9-14)24-19-23-17(10-25-19)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,23,24).
What are the key properties of 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 405.74 g/mol, XLogP of 7.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58911073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).