4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide

C19H19N3O4S — CID 46277155

IUPAC4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CN2CC(=O)N3CSCC3C2=O)cc1
InChIInChI=1S/C19H19N3O4S/c23-17-10-21(19(25)16-11-27-12-22(16)17)9-13-3-5-14(6-4-13)18(24)20-8-15-2-1-7-26-15/h1-7,16H,8-12H2,(H,20,24)
InChIKeyICYWWBLIQDKVRN-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.45
Rot. Bonds5

About 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide

4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 46277155) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID46277155
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CN2CC(=O)N3CSCC3C2=O)cc1
InChIInChI=1S/C19H19N3O4S/c23-17-10-21(19(25)16-11-27-12-22(16)17)9-13-3-5-14(6-4-13)18(24)20-8-15-2-1-7-26-15/h1-7,16H,8-12H2,(H,20,24)
InChIKeyICYWWBLIQDKVRN-UHFFFAOYSA-N
XLogP1.45
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 92886804
4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]benzamide
CID 124769892
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894716
N-(furan-2-ylmethyl)-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277487
N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285943
4-[[1-(2-amino-2-oxoethyl)-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 22428340
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(furan-2-ylmethyl)benzamide
CID 3710613
4-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(furan-2-ylmethyl)benzamide
CID 98284537
N-[2-(4-chlorophenyl)ethyl]-4-[(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]benzamide
CID 46272369
4-[[[4-chloro-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1408275

Frequently Asked Questions

What is the IUPAC name of 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide (CID 46277155) is 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(CN2CC(=O)N3CSCC3C2=O)cc1.
What is the InChIKey of 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ICYWWBLIQDKVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-17-10-21(19(25)16-11-27-12-22(16)17)9-13-3-5-14(6-4-13)18(24)20-8-15-2-1-7-26-15/h1-7,16H,8-12H2,(H,20,24).
What are the key properties of 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 385.45 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 46277155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).