N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide

C27H39N5OS — CID 70799661

IUPACN-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC(=O)C5CNCCN5)CC4)n3)ccc21
InChIInChI=1S/C27H39N5OS/c1-26(2)9-10-27(3,4)21-15-18(5-6-20(21)26)23-17-34-25(31-23)32-13-7-19(8-14-32)30-24(33)22-16-28-11-12-29-22/h5-6,15,17,19,22,28-29H,7-14,16H2,1-4H3,(H,30,33)
InChIKeyYXIVWJYSBRGOGY-UHFFFAOYSA-N
MW481.71 g/mol
LogP3.81
Rot. Bonds4

About N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide

N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide (PubChem CID 70799661) has the molecular formula C27H39N5OS and a molecular weight of 481.71 g/mol. Its IUPAC name is N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide
PubChem CID70799661
Molecular FormulaC27H39N5OS
Molecular Weight481.71 g/mol
Exact Mass481.29
IUPAC NameN-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC(=O)C5CNCCN5)CC4)n3)ccc21
InChIInChI=1S/C27H39N5OS/c1-26(2)9-10-27(3,4)21-15-18(5-6-20(21)26)23-17-34-25(31-23)32-13-7-19(8-14-32)30-24(33)22-16-28-11-12-29-22/h5-6,15,17,19,22,28-29H,7-14,16H2,1-4H3,(H,30,33)
InChIKeyYXIVWJYSBRGOGY-UHFFFAOYSA-N
XLogP3.81
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.71
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 67324285
2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
CID 53312286
1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 53312200
N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide
CID 70808379
(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
2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanol
CID 67322392
2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride
CID 157123513
(2S)-4-aminobutane-1,2-diol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-one;(2S)-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,2-diol
CID 158015010
(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
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
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
2-[[1-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol
CID 142790717

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide?
The IUPAC name of 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) is N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide?
The canonical SMILES for N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC(=O)C5CNCCN5)CC4)n3)ccc21.
What is the InChIKey of N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide?
The InChIKey is YXIVWJYSBRGOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5OS/c1-26(2)9-10-27(3,4)21-15-18(5-6-20(21)26)23-17-34-25(31-23)32-13-7-19(8-14-32)30-24(33)22-16-28-11-12-29-22/h5-6,15,17,19,22,28-29H,7-14,16H2,1-4H3,(H,30,33).
What are the key properties of N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide?
N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide has a molecular weight of 481.71 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazine-2-carboxamide is sourced from PubChem (CID 70799661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).