4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole

C20H27NS — CID 2741746

IUPAC4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole
SMILESCCc1cc2c(cc1-c1csc(C)n1)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H27NS/c1-7-14-10-16-17(20(5,6)9-8-19(16,3)4)11-15(14)18-12-22-13(2)21-18/h10-12H,7-9H2,1-6H3
InChIKeyOPEQETRRIUUOQS-UHFFFAOYSA-N
MW313.51 g/mol
LogP6.03
Rot. Bonds2

About 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole

4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole (PubChem CID 2741746) has the molecular formula C20H27NS and a molecular weight of 313.51 g/mol. Its IUPAC name is 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole
PubChem CID2741746
Molecular FormulaC20H27NS
Molecular Weight313.51 g/mol
Exact Mass313.19
IUPAC Name4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole
SMILESCCc1cc2c(cc1-c1csc(C)n1)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H27NS/c1-7-14-10-16-17(20(5,6)9-8-19(16,3)4)11-15(14)18-12-22-13(2)21-18/h10-12H,7-9H2,1-6H3
InChIKeyOPEQETRRIUUOQS-UHFFFAOYSA-N
XLogP6.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.51
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole (CID 2741746) is 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole is CCc1cc2c(cc1-c1csc(C)n1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is OPEQETRRIUUOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NS/c1-7-14-10-16-17(20(5,6)9-8-19(16,3)4)11-15(14)18-12-22-13(2)21-18/h10-12H,7-9H2,1-6H3.
What are the key properties of 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole?
4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 313.51 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 2741746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).