2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole

C27H24N2S — CID 156665321

IUPAC2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3)nc3ccccc23)n1
InChIInChI=1S/C27H24N2S/c1-17-16-30-26(28-17)22-15-25(29-24-12-8-7-11-21(22)24)19-13-18-9-5-6-10-20(18)23(14-19)27(2,3)4/h5-16H,1-4H3
InChIKeyUXXBYWUVQDPCBP-UHFFFAOYSA-N
MW408.57 g/mol
LogP7.78
Rot. Bonds2

About 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole

2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole (PubChem CID 156665321) has the molecular formula C27H24N2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole
PubChem CID156665321
Molecular FormulaC27H24N2S
Molecular Weight408.57 g/mol
Exact Mass408.17
IUPAC Name2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3)nc3ccccc23)n1
InChIInChI=1S/C27H24N2S/c1-17-16-30-26(28-17)22-15-25(29-24-12-8-7-11-21(22)24)19-13-18-9-5-6-10-20(18)23(14-19)27(2,3)4/h5-16H,1-4H3
InChIKeyUXXBYWUVQDPCBP-UHFFFAOYSA-N
XLogP7.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972
2-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-1,3-benzothiazole
CID 156665521
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine
CID 166501434
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
4-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylfuro[3,2-c]quinoline
CID 166570041
4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
CID 156629468
6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline
CID 167354672
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline
CID 167354477
7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
CID 171581583

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole (CID 156665321) is 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2cc(-c3cc(C(C)(C)C)c4ccccc4c3)nc3ccccc23)n1.
What is the InChIKey of 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole?
The InChIKey is UXXBYWUVQDPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2S/c1-17-16-30-26(28-17)22-15-25(29-24-12-8-7-11-21(22)24)19-13-18-9-5-6-10-20(18)23(14-19)27(2,3)4/h5-16H,1-4H3.
What are the key properties of 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole?
2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole has a molecular weight of 408.57 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 156665321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).