6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C22H18N4O4S — CID 4113165

IUPAC6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1
InChIInChI=1S/C22H18N4O4S/c27-19(24-8-10-25(11-9-24)21(29)18-7-4-12-30-18)16-13-23-22-26(20(16)28)17(14-31-22)15-5-2-1-3-6-15/h1-7,12-14H,8-11H2
InChIKeyLQENLCBXCKABFU-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.61
Rot. Bonds3

About 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4113165) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4113165
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1
InChIInChI=1S/C22H18N4O4S/c27-19(24-8-10-25(11-9-24)21(29)18-7-4-12-30-18)16-13-23-22-26(20(16)28)17(14-31-22)15-5-2-1-3-6-15/h1-7,12-14H,8-11H2
InChIKeyLQENLCBXCKABFU-UHFFFAOYSA-N
XLogP2.61
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3469841
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469776
furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 71689981
N-(2-ethylphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5076109
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 46288581
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(2-methylpropylamino)-3-pyridinyl]methanone
CID 109151822
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854688

Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4113165) is 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1ccco1)N1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1.
What is the InChIKey of 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LQENLCBXCKABFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c27-19(24-8-10-25(11-9-24)21(29)18-7-4-12-30-18)16-13-23-22-26(20(16)28)17(14-31-22)15-5-2-1-3-6-15/h1-7,12-14H,8-11H2.
What are the key properties of 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 434.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4113165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).