2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone

C18H20N6OS — CID 46992967

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)cs1
InChIInChI=1S/C18H20N6OS/c1-13-20-14(12-26-13)10-18(25)23-8-5-15(6-9-23)24-11-17(21-22-24)16-4-2-3-7-19-16/h2-4,7,11-12,15H,5-6,8-10H2,1H3
InChIKeyWUFUIEJLEQMUQE-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.51
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 46992967) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
PubChem CID46992967
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)cs1
InChIInChI=1S/C18H20N6OS/c1-13-20-14(12-26-13)10-18(25)23-8-5-15(6-9-23)24-11-17(21-22-24)16-4-2-3-7-19-16/h2-4,7,11-12,15H,5-6,8-10H2,1H3
InChIKeyWUFUIEJLEQMUQE-UHFFFAOYSA-N
XLogP2.51
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
CID 46990972
N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 30921570
formic acid;2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 171324865
1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95845725
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
N-methyl-N-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]azepan-4-yl]-1-phenylmethanesulfonamide
CID 110248522
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
1-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 122141584
N-methyl-N-[(4S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]azepan-4-yl]isoquinoline-1-carboxamide
CID 92635079
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 128973759
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 27049046
2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 92633969

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone (CID 46992967) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is WUFUIEJLEQMUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13-20-14(12-26-13)10-18(25)23-8-5-15(6-9-23)24-11-17(21-22-24)16-4-2-3-7-19-16/h2-4,7,11-12,15H,5-6,8-10H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 368.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46992967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).