1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

C18H26N4OS — CID 125004918

IUPAC1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCc1cnc([C@@H]2CCCN(C(=O)CCn3ccnc3C(C)C)C2)s1
InChIInChI=1S/C18H26N4OS/c1-13(2)17-19-7-10-21(17)9-6-16(23)22-8-4-5-15(12-22)18-20-11-14(3)24-18/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3/t15-/m1/s1
InChIKeyTVUYKPIMTVWFFO-OAHLLOKOSA-N
MW346.50 g/mol
LogP3.57
Rot. Bonds5

About 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 125004918) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID125004918
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCc1cnc([C@@H]2CCCN(C(=O)CCn3ccnc3C(C)C)C2)s1
InChIInChI=1S/C18H26N4OS/c1-13(2)17-19-7-10-21(17)9-6-16(23)22-8-4-5-15(12-22)18-20-11-14(3)24-18/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3/t15-/m1/s1
InChIKeyTVUYKPIMTVWFFO-OAHLLOKOSA-N
XLogP3.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-propan-2-ylimidazol-1-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124945186
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124949880
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124959320
(3aR,7aS)-1-propan-2-yl-5-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120965772
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125008602
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110106854
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 124569451
2-(4-fluorophenoxy)-1-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124967078
[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125018357
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124886210
3-(2-propan-2-ylimidazol-1-yl)-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-1-one
CID 95797657
3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 125004918) is 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is Cc1cnc([C@@H]2CCCN(C(=O)CCn3ccnc3C(C)C)C2)s1.
What is the InChIKey of 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is TVUYKPIMTVWFFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(2)17-19-7-10-21(17)9-6-16(23)22-8-4-5-15(12-22)18-20-11-14(3)24-18/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 346.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 125004918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).