5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine

C25H30N2S — CID 2803064

IUPAC5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESCCc1cc2c(cc1-c1cnc(Nc3ccccc3)s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N2S/c1-6-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)22-16-26-23(28-22)27-18-10-8-7-9-11-18/h7-11,14-16H,6,12-13H2,1-5H3,(H,26,27)
InChIKeyILYPEVSMWHWPTN-UHFFFAOYSA-N
MW390.60 g/mol
LogP7.47
Rot. Bonds4

About 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine

5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 2803064) has the molecular formula C25H30N2S and a molecular weight of 390.60 g/mol. Its IUPAC name is 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID2803064
Molecular FormulaC25H30N2S
Molecular Weight390.60 g/mol
Exact Mass390.21
IUPAC Name5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESCCc1cc2c(cc1-c1cnc(Nc3ccccc3)s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N2S/c1-6-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)22-16-26-23(28-22)27-18-10-8-7-9-11-18/h7-11,14-16H,6,12-13H2,1-5H3,(H,26,27)
InChIKeyILYPEVSMWHWPTN-UHFFFAOYSA-N
XLogP7.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.60
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine (CID 2803064) is 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine is CCc1cc2c(cc1-c1cnc(Nc3ccccc3)s1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is ILYPEVSMWHWPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2S/c1-6-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)22-16-26-23(28-22)27-18-10-8-7-9-11-18/h7-11,14-16H,6,12-13H2,1-5H3,(H,26,27).
What are the key properties of 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 390.60 g/mol, XLogP of 7.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2803064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).