6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H18N4O5S2 — CID 20901033

IUPAC6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)nc2s1
InChIInChI=1S/C17H18N4O5S2/c1-11-10-21-16(23)14(12(2)18-17(21)27-11)28(24,25)20-7-5-19(6-8-20)15(22)13-4-3-9-26-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyANSVYIOJZHCWIE-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.11
Rot. Bonds3

About 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20901033) has the molecular formula C17H18N4O5S2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID20901033
Molecular FormulaC17H18N4O5S2
Molecular Weight422.49 g/mol
Exact Mass422.07
IUPAC Name6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)nc2s1
InChIInChI=1S/C17H18N4O5S2/c1-11-10-21-16(23)14(12(2)18-17(21)27-11)28(24,25)20-7-5-19(6-8-20)15(22)13-4-3-9-26-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyANSVYIOJZHCWIE-UHFFFAOYSA-N
XLogP1.11
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110798086
2,7-dimethyl-6-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51609877
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938480
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3238897
5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 16822023
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 20930695
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
CID 46397260
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092

Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 20901033) is 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)nc2s1.
What is the InChIKey of 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ANSVYIOJZHCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S2/c1-11-10-21-16(23)14(12(2)18-17(21)27-11)28(24,25)20-7-5-19(6-8-20)15(22)13-4-3-9-26-13/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 422.49 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20901033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).