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

C16H16N4O3S — CID 38910901

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H16N4O3S/c21-14(10-12-11-20-7-9-24-16(20)17-12)18-3-5-19(6-4-18)15(22)13-2-1-8-23-13/h1-2,7-9,11H,3-6,10H2
InChIKeyIOWRMHKHBUURHK-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.52
Rot. Bonds3

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

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 38910901) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID38910901
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H16N4O3S/c21-14(10-12-11-20-7-9-24-16(20)17-12)18-3-5-19(6-4-18)15(22)13-2-1-8-23-13/h1-2,7-9,11H,3-6,10H2
InChIKeyIOWRMHKHBUURHK-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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Related Compounds

N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
CID 111167351
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 78851287
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080929
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854688
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone
CID 78905037
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 110801924
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 25324982
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 95289056
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56718537
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 38910901) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is IOWRMHKHBUURHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c21-14(10-12-11-20-7-9-24-16(20)17-12)18-3-5-19(6-4-18)15(22)13-2-1-8-23-13/h1-2,7-9,11H,3-6,10H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[4-(furan-2-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-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 38910901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).