1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone

C18H23N3OS — CID 110100409

IUPAC1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(-c3nc(C)c(C)s3)cn2)CC1
InChIInChI=1S/C18H23N3OS/c1-12-13(2)23-18(20-12)16-4-5-17(19-11-16)10-15-6-8-21(9-7-15)14(3)22/h4-5,11,15H,6-10H2,1-3H3
InChIKeyABVYBTBBTZSNDV-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.62
Rot. Bonds3

About 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 110100409) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID110100409
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(-c3nc(C)c(C)s3)cn2)CC1
InChIInChI=1S/C18H23N3OS/c1-12-13(2)23-18(20-12)16-4-5-17(19-11-16)10-15-6-8-21(9-7-15)14(3)22/h4-5,11,15H,6-10H2,1-3H3
InChIKeyABVYBTBBTZSNDV-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 110100409) is 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2ccc(-c3nc(C)c(C)s3)cn2)CC1.
What is the InChIKey of 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is ABVYBTBBTZSNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-13(2)23-18(20-12)16-4-5-17(19-11-16)10-15-6-8-21(9-7-15)14(3)22/h4-5,11,15H,6-10H2,1-3H3.
What are the key properties of 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 329.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110100409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).