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

C18H23NS — CID 2742589

IUPAC2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cs1
InChIInChI=1S/C18H23NS/c1-12-19-16(11-20-12)13-6-7-14-15(10-13)18(4,5)9-8-17(14,2)3/h6-7,10-11H,8-9H2,1-5H3
InChIKeyLSCSVJUMULOSMG-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.47
Rot. Bonds1

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

2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole (PubChem CID 2742589) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
PubChem CID2742589
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cs1
InChIInChI=1S/C18H23NS/c1-12-19-16(11-20-12)13-6-7-14-15(10-13)18(4,5)9-8-17(14,2)3/h6-7,10-11H,8-9H2,1-5H3
InChIKeyLSCSVJUMULOSMG-UHFFFAOYSA-N
XLogP5.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole (CID 2742589) is 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole is Cc1nc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cs1.
What is the InChIKey of 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The InChIKey is LSCSVJUMULOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-12-19-16(11-20-12)13-6-7-14-15(10-13)18(4,5)9-8-17(14,2)3/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole has a molecular weight of 285.46 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole is sourced from PubChem (CID 2742589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).