1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone

C19H18N4O3S — CID 39080929

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccncc2)n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N4O3S/c24-17(12-15-13-27-18(21-15)14-3-5-20-6-4-14)22-7-9-23(10-8-22)19(25)16-2-1-11-26-16/h1-6,11,13H,7-10,12H2
InChIKeyOUSWXQDIWGMZFI-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.33
Rot. Bonds4

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 39080929) has the molecular formula C19H18N4O3S and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID39080929
Molecular FormulaC19H18N4O3S
Molecular Weight382.44 g/mol
Exact Mass382.11
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccncc2)n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N4O3S/c24-17(12-15-13-27-18(21-15)14-3-5-20-6-4-14)22-7-9-23(10-8-22)19(25)16-2-1-11-26-16/h1-6,11,13H,7-10,12H2
InChIKeyOUSWXQDIWGMZFI-UHFFFAOYSA-N
XLogP2.33
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854688
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37376323
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 31566136
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 38910901
1-(3-chlorophenyl)-3-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 18567612
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
2-(4-fluorophenyl)-1-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]ethanone
CID 46441757
N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 16881497
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080904
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080902

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone (CID 39080929) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2ccncc2)n1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is OUSWXQDIWGMZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-17(12-15-13-27-18(21-15)14-3-5-20-6-4-14)22-7-9-23(10-8-22)19(25)16-2-1-11-26-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 382.44 g/mol, XLogP of 2.33, 4 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-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 39080929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).