3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one

C18H23N3OS — CID 136547554

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C18H23N3OS/c1-14-17(23-13-20-14)4-5-18(22)21-9-6-15(7-10-21)11-16-3-2-8-19-12-16/h2-3,8,12-13,15H,4-7,9-11H2,1H3
InChIKeyCWIBXCTVWFNQBI-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.26
Rot. Bonds5

About 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one

3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 136547554) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID136547554
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C18H23N3OS/c1-14-17(23-13-20-14)4-5-18(22)21-9-6-15(7-10-21)11-16-3-2-8-19-12-16/h2-3,8,12-13,15H,4-7,9-11H2,1H3
InChIKeyCWIBXCTVWFNQBI-UHFFFAOYSA-N
XLogP3.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 96574369
3-(4-methyl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 72862369
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
1-[4-(dimethylamino)azepan-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 56899647
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 70704854
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70786598
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773
4-[[1-(3-pyridin-3-ylpropanoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70736736
2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 136538935

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one (CID 136547554) is 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one is Cc1ncsc1CCC(=O)N1CCC(Cc2cccnc2)CC1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CWIBXCTVWFNQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-17(23-13-20-14)4-5-18(22)21-9-6-15(7-10-21)11-16-3-2-8-19-12-16/h2-3,8,12-13,15H,4-7,9-11H2,1H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 329.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 136547554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).