[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

C20H23N5OS2 — CID 3854483

IUPAC[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)(C)c1csc(C2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)n1
InChIInChI=1S/C20H23N5OS2/c1-20(2,3)16-12-28-17(24-16)13-4-8-25(9-5-13)19(26)15-11-27-18(23-15)14-10-21-6-7-22-14/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyHOMOVRMDBHUVAM-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.37
Rot. Bonds3

About [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 3854483) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID3854483
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC Name[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)(C)c1csc(C2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)n1
InChIInChI=1S/C20H23N5OS2/c1-20(2,3)16-12-28-17(24-16)13-4-8-25(9-5-13)19(26)15-11-27-18(23-15)14-10-21-6-7-22-14/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyHOMOVRMDBHUVAM-UHFFFAOYSA-N
XLogP4.37
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3746568
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3800753
ethyl 5-[2-[1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 4990091
[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527742
(2R)-1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537472
tert-butyl 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoate
CID 4996955
N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide
CID 138994808
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 95569194
[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanone
CID 3707270
2-(3,4-dimethylphenoxy)-1-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3591699

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (CID 3854483) is [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is CC(C)(C)c1csc(C2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)n1.
What is the InChIKey of [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is HOMOVRMDBHUVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS2/c1-20(2,3)16-12-28-17(24-16)13-4-8-25(9-5-13)19(26)15-11-27-18(23-15)14-10-21-6-7-22-14/h6-7,10-13H,4-5,8-9H2,1-3H3.
What are the key properties of [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 413.57 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 3854483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).