2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole

C26H31NS — CID 144676427

IUPAC2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
SMILESCc1cc(Cc2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(C)(C)C)cc1C
InChIInChI=1S/C26H31NS/c1-17-12-22(23(13-18(17)2)26(3,4)5)15-25-27-24(16-28-25)21-11-10-19-8-6-7-9-20(19)14-21/h10-14,16H,6-9,15H2,1-5H3
InChIKeyKDXGLWKCHBZJLW-UHFFFAOYSA-N
MW389.61 g/mol
LogP7.19
Rot. Bonds3

About 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole

2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole (PubChem CID 144676427) has the molecular formula C26H31NS and a molecular weight of 389.61 g/mol. Its IUPAC name is 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
PubChem CID144676427
Molecular FormulaC26H31NS
Molecular Weight389.61 g/mol
Exact Mass389.22
IUPAC Name2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
SMILESCc1cc(Cc2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(C)(C)C)cc1C
InChIInChI=1S/C26H31NS/c1-17-12-22(23(13-18(17)2)26(3,4)5)15-25-27-24(16-28-25)21-11-10-19-8-6-7-9-20(19)14-21/h10-14,16H,6-9,15H2,1-5H3
InChIKeyKDXGLWKCHBZJLW-UHFFFAOYSA-N
XLogP7.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.61
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole with MolForge

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Related Compounds

2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]-5-(trifluoromethyl)aniline
CID 90322260
2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline
CID 144676340
2-amino-4-methyl-5-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]benzonitrile
CID 90322282
4-methyl-2-nitro-5-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]benzonitrile
CID 90322195
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145045138
N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine
CID 144676337
N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 145045216
4-methyl-2-[[4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 9422843
N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 145045272

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole?
The IUPAC name of 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole (CID 144676427) is 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole is Cc1cc(Cc2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(C)(C)C)cc1C.
What is the InChIKey of 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole?
The InChIKey is KDXGLWKCHBZJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NS/c1-17-12-22(23(13-18(17)2)26(3,4)5)15-25-27-24(16-28-25)21-11-10-19-8-6-7-9-20(19)14-21/h10-14,16H,6-9,15H2,1-5H3.
What are the key properties of 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole?
2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole has a molecular weight of 389.61 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole is sourced from PubChem (CID 144676427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).