2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C14H18N4OS — CID 86768416

IUPAC2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(c2nccs2)C1)n1ccnc1
InChIInChI=1S/C14H18N4OS/c1-11(18-7-4-15-10-18)14(19)17-6-2-3-12(9-17)13-16-5-8-20-13/h4-5,7-8,10-12H,2-3,6,9H2,1H3
InChIKeyYRWAUQBULGADQA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.31
Rot. Bonds3

About 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 86768416) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID86768416
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(c2nccs2)C1)n1ccnc1
InChIInChI=1S/C14H18N4OS/c1-11(18-7-4-15-10-18)14(19)17-6-2-3-12(9-17)13-16-5-8-20-13/h4-5,7-8,10-12H,2-3,6,9H2,1H3
InChIKeyYRWAUQBULGADQA-UHFFFAOYSA-N
XLogP2.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 86768416) is 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCC(c2nccs2)C1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YRWAUQBULGADQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-11(18-7-4-15-10-18)14(19)17-6-2-3-12(9-17)13-16-5-8-20-13/h4-5,7-8,10-12H,2-3,6,9H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 290.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86768416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).