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

C23H22N2S — CID 5071677

IUPAC4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C23H22N2S/c1-23(2,3)18-13-11-17(12-14-18)21-15-26-22(25-21)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3,(H,24,25)
InChIKeyRWAKVVGBTSWTSC-UHFFFAOYSA-N
MW358.51 g/mol
LogP7.00
Rot. Bonds3

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

4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine (PubChem CID 5071677) has the molecular formula C23H22N2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine
PubChem CID5071677
Molecular FormulaC23H22N2S
Molecular Weight358.51 g/mol
Exact Mass358.15
IUPAC Name4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C23H22N2S/c1-23(2,3)18-13-11-17(12-14-18)21-15-26-22(25-21)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3,(H,24,25)
InChIKeyRWAKVVGBTSWTSC-UHFFFAOYSA-N
XLogP7.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine (CID 5071677) is 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine is CC(C)(C)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The InChIKey is RWAKVVGBTSWTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2S/c1-23(2,3)18-13-11-17(12-14-18)21-15-26-22(25-21)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3,(H,24,25).
What are the key properties of 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine?
4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine has a molecular weight of 358.51 g/mol, XLogP of 7.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 5071677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).