7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H15N3O3S — CID 8841421

IUPAC7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN(Cc2ccco2)Cc2ccco2)nc2sccn12
InChIInChI=1S/C17H15N3O3S/c21-16-9-13(18-17-20(16)5-8-24-17)10-19(11-14-3-1-6-22-14)12-15-4-2-7-23-15/h1-9H,10-12H2
InChIKeyAXFCXGZKUYGJNG-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.14
Rot. Bonds6

About 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 8841421) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID8841421
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN(Cc2ccco2)Cc2ccco2)nc2sccn12
InChIInChI=1S/C17H15N3O3S/c21-16-9-13(18-17-20(16)5-8-24-17)10-19(11-14-3-1-6-22-14)12-15-4-2-7-23-15/h1-9H,10-12H2
InChIKeyAXFCXGZKUYGJNG-UHFFFAOYSA-N
XLogP3.14
TPSA63.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8678107
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
7-[[2-aminoethyl(2-phenylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120871527
7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357933
7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62686087
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
7-[[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9375057
7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62332981
7-[[methyl-(4-methylcyclohexyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47113217
7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135520073
methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate
CID 94797828

Frequently Asked Questions

What is the IUPAC name of 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 8841421) is 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN(Cc2ccco2)Cc2ccco2)nc2sccn12.
What is the InChIKey of 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AXFCXGZKUYGJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-16-9-13(18-17-20(16)5-8-24-17)10-19(11-14-3-1-6-22-14)12-15-4-2-7-23-15/h1-9H,10-12H2.
What are the key properties of 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 341.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 8841421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).