1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one

C17H21N3OS — CID 110649386

IUPAC1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCc2nc(-c3ccccn3)cs2)C1
InChIInChI=1S/C17H21N3OS/c1-13-5-4-10-20(11-13)17(21)8-7-16-19-15(12-22-16)14-6-2-3-9-18-14/h2-3,6,9,12-13H,4-5,7-8,10-11H2,1H3
InChIKeyGESOVIKJNXLNSX-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one

1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 110649386) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
PubChem CID110649386
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCc2nc(-c3ccccn3)cs2)C1
InChIInChI=1S/C17H21N3OS/c1-13-5-4-10-20(11-13)17(21)8-7-16-19-15(12-22-16)14-6-2-3-9-18-14/h2-3,6,9,12-13H,4-5,7-8,10-11H2,1H3
InChIKeyGESOVIKJNXLNSX-UHFFFAOYSA-N
XLogP3.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647750
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110648806
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110631362
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
3-(4-phenyl-1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628802
4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136766353
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649752
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110333046
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95777652

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one (CID 110649386) is 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one is CC1CCCN(C(=O)CCc2nc(-c3ccccn3)cs2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is GESOVIKJNXLNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-5-4-10-20(11-13)17(21)8-7-16-19-15(12-22-16)14-6-2-3-9-18-14/h2-3,6,9,12-13H,4-5,7-8,10-11H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 315.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 110649386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).