1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C16H16N4O3S — CID 32531646

IUPAC1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H16N4O3S/c21-14(9-13-10-20-6-8-24-16(20)17-13)18-2-4-19(5-3-18)15(22)12-1-7-23-11-12/h1,6-8,10-11H,2-5,9H2
InChIKeyHKPORZSMOASREQ-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.52
Rot. Bonds3

About 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 32531646) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID32531646
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H16N4O3S/c21-14(9-13-10-20-6-8-24-16(20)17-13)18-2-4-19(5-3-18)15(22)12-1-7-23-11-12/h1,6-8,10-11H,2-5,9H2
InChIKeyHKPORZSMOASREQ-UHFFFAOYSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 32531646) is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is HKPORZSMOASREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c21-14(9-13-10-20-6-8-24-16(20)17-13)18-2-4-19(5-3-18)15(22)12-1-7-23-11-12/h1,6-8,10-11H,2-5,9H2.
What are the key properties of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 344.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 32531646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).