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

C21H29N3S — CID 53312286

IUPAC2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCNCC4)n3)ccc21
InChIInChI=1S/C21H29N3S/c1-20(2)7-8-21(3,4)17-13-15(5-6-16(17)20)18-14-25-19(23-18)24-11-9-22-10-12-24/h5-6,13-14,22H,7-12H2,1-4H3
InChIKeyKMECAADWAGXGBK-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.57
Rot. Bonds2

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

2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole (PubChem CID 53312286) has the molecular formula C21H29N3S and a molecular weight of 355.55 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
PubChem CID53312286
Molecular FormulaC21H29N3S
Molecular Weight355.55 g/mol
Exact Mass355.21
IUPAC Name2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCNCC4)n3)ccc21
InChIInChI=1S/C21H29N3S/c1-20(2)7-8-21(3,4)17-13-15(5-6-16(17)20)18-14-25-19(23-18)24-11-9-22-10-12-24/h5-6,13-14,22H,7-12H2,1-4H3
InChIKeyKMECAADWAGXGBK-UHFFFAOYSA-N
XLogP4.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole with MolForge

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Related Compounds

1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 53312200
2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol
CID 67322392
1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
CID 53250560
N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 67324285
3-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-ylidene]propan-1-ol
CID 123664455
N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide
CID 70799661
2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride
CID 157123513
5-[4-[4-(8,8-difluoro-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol
CID 53311278
(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol
CID 157293663
(3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol
CID 70799667
1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-one;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-one;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
CID 159062829
2-(2,6-dichloro-4-pyridinyl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
CID 2798644

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The IUPAC name of 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole (CID 53312286) is 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCNCC4)n3)ccc21.
What is the InChIKey of 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
The InChIKey is KMECAADWAGXGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3S/c1-20(2)7-8-21(3,4)17-13-15(5-6-16(17)20)18-14-25-19(23-18)24-11-9-22-10-12-24/h5-6,13-14,22H,7-12H2,1-4H3.
What are the key properties of 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole?
2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole has a molecular weight of 355.55 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole is sourced from PubChem (CID 53312286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).