N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C17H18N4O3S — CID 38198746

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H18N4O3S/c22-15(9-14-10-21-6-8-25-17(21)19-14)18-13-1-4-20(5-2-13)16(23)12-3-7-24-11-12/h3,6-8,10-11,13H,1-2,4-5,9H2,(H,18,22)
InChIKeyCHGFOZMZZMMNCC-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.95
Rot. Bonds4

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 38198746) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID38198746
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H18N4O3S/c22-15(9-14-10-21-6-8-25-17(21)19-14)18-13-1-4-20(5-2-13)16(23)12-3-7-24-11-12/h3,6-8,10-11,13H,1-2,4-5,9H2,(H,18,22)
InChIKeyCHGFOZMZZMMNCC-UHFFFAOYSA-N
XLogP1.95
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 38198746) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is CHGFOZMZZMMNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-15(9-14-10-21-6-8-25-17(21)19-14)18-13-1-4-20(5-2-13)16(23)12-3-7-24-11-12/h3,6-8,10-11,13H,1-2,4-5,9H2,(H,18,22).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 358.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 38198746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).