4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole

C19H24N2S — CID 67322897

IUPAC4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC1CCCc2cc(-c3csc(C4CCNCC4)n3)ccc21
InChIInChI=1S/C19H24N2S/c1-13-3-2-4-15-11-16(5-6-17(13)15)18-12-22-19(21-18)14-7-9-20-10-8-14/h5-6,11-14,20H,2-4,7-10H2,1H3
InChIKeyJTWPMBJRWQIWQP-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.72
Rot. Bonds2

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

4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 67322897) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID67322897
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC1CCCc2cc(-c3csc(C4CCNCC4)n3)ccc21
InChIInChI=1S/C19H24N2S/c1-13-3-2-4-15-11-16(5-6-17(13)15)18-12-22-19(21-18)14-7-9-20-10-8-14/h5-6,11-14,20H,2-4,7-10H2,1H3
InChIKeyJTWPMBJRWQIWQP-UHFFFAOYSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 132085809
4-(2,4-Dimethylphenyl)-2-methyl-1,3-thiazole
CID 2798044
1-Benzyl-4-(2-phenyl-thiazol-4-ylmethyl)-piperazine
CID 12050196
US11608337, Example 32
CID 132085789
(1-Benzyl-piperidin-4-yl)-(2-phenyl-thiazol-4-ylmethyl)-amine
CID 12050200
4-naphthalen-2-yl-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 137661773
2-[2-[4-(1-Adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 162648422
2-[2-[3-(1-Adamantyl)-4-fluorophenyl]-1,3-thiazol-4-yl]ethanamine
CID 162651532
N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 162654990
2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N-methylethanamine
CID 162665117
2-[2-[3-(1-adamantyl)-4-fluorophenyl]-1,3-thiazol-4-yl]-N-methylethanamine
CID 162667184
N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
CID 135313717

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole (CID 67322897) is 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole is CC1CCCc2cc(-c3csc(C4CCNCC4)n3)ccc21.
What is the InChIKey of 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is JTWPMBJRWQIWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-13-3-2-4-15-11-16(5-6-17(13)15)18-12-22-19(21-18)14-7-9-20-10-8-14/h5-6,11-14,20H,2-4,7-10H2,1H3.
What are the key properties of 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 312.48 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 67322897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).