(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C21H24N4OS2 — CID 99806155

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)s1
InChIInChI=1S/C21H24N4OS2/c1-21(2,3)20-23-12-17(28-20)19(26)25-10-6-15(7-11-25)18-24-16(13-27-18)14-4-8-22-9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3
InChIKeyGSZYENCZPMPTKU-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.98
Rot. Bonds3

About (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 99806155) has the molecular formula C21H24N4OS2 and a molecular weight of 412.58 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID99806155
Molecular FormulaC21H24N4OS2
Molecular Weight412.58 g/mol
Exact Mass412.14
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)s1
InChIInChI=1S/C21H24N4OS2/c1-21(2,3)20-23-12-17(28-20)19(26)25-10-6-15(7-11-25)18-24-16(13-27-18)14-4-8-22-9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3
InChIKeyGSZYENCZPMPTKU-UHFFFAOYSA-N
XLogP4.98
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75463147
2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 47925520
[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-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 23742109
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 154836877
[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3741284
3-(furan-2-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 72690259
[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 47893545
[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 3579882
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
1-[4-(cyclohexanecarbonyl)-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 166108079
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 99806155) is (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC(C)(C)c1ncc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)s1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GSZYENCZPMPTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS2/c1-21(2,3)20-23-12-17(28-20)19(26)25-10-6-15(7-11-25)18-24-16(13-27-18)14-4-8-22-9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 412.58 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 99806155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).