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

C21H23N3OS2 — CID 75463147

IUPAC(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)sc1C
InChIInChI=1S/C21H23N3OS2/c1-3-15-12-19(27-14(15)2)21(25)24-10-6-17(7-11-24)20-23-18(13-26-20)16-4-8-22-9-5-16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3
InChIKeyZYVUYCFKFQYPLT-UHFFFAOYSA-N
MW397.57 g/mol
LogP5.16
Rot. Bonds4

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

(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 75463147) has the molecular formula C21H23N3OS2 and a molecular weight of 397.57 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID75463147
Molecular FormulaC21H23N3OS2
Molecular Weight397.57 g/mol
Exact Mass397.13
IUPAC Name(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)sc1C
InChIInChI=1S/C21H23N3OS2/c1-3-15-12-19(27-14(15)2)21(25)24-10-6-17(7-11-24)20-23-18(13-26-20)16-4-8-22-9-5-16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3
InChIKeyZYVUYCFKFQYPLT-UHFFFAOYSA-N
XLogP5.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99806155
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
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
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 166108063
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 3875562
[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3741284
[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 23742109
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3688431
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

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 75463147) is (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)sc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZYVUYCFKFQYPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS2/c1-3-15-12-19(27-14(15)2)21(25)24-10-6-17(7-11-24)20-23-18(13-26-20)16-4-8-22-9-5-16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3.
What are the key properties of (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 397.57 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-2-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 75463147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).