2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide

C18H20N4O3S — CID 53370085

IUPAC2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide
SMILESNc1nc(=O)n(CC(=O)NCc2ccco2)c2sc3c(c12)CCCCC3
InChIInChI=1S/C18H20N4O3S/c19-16-15-12-6-2-1-3-7-13(12)26-17(15)22(18(24)21-16)10-14(23)20-9-11-5-4-8-25-11/h4-5,8H,1-3,6-7,9-10H2,(H,20,23)(H2,19,21,24)
InChIKeyOTUZWUYIGPJKOU-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.22
Rot. Bonds4

About 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 53370085) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID53370085
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide
SMILESNc1nc(=O)n(CC(=O)NCc2ccco2)c2sc3c(c12)CCCCC3
InChIInChI=1S/C18H20N4O3S/c19-16-15-12-6-2-1-3-7-13(12)26-17(15)22(18(24)21-16)10-14(23)20-9-11-5-4-8-25-11/h4-5,8H,1-3,6-7,9-10H2,(H,20,23)(H2,19,21,24)
InChIKeyOTUZWUYIGPJKOU-UHFFFAOYSA-N
XLogP2.22
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 15992948
2-[3-(furan-2-ylmethyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
CID 18829519
N-(furan-2-ylmethyl)-2-[[4-oxo-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 112782999
N-(furan-2-ylmethyl)-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2706214
2-[(11-benzyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2099278
N-(furan-2-ylmethyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
CID 2886838
2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 82194265
2-[3-(furan-2-ylmethyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(2-methylphenyl)acetamide
CID 18829475
N-(furan-2-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)acetamide
CID 2705719
2-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 95857463
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410275

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide (CID 53370085) is 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide is Nc1nc(=O)n(CC(=O)NCc2ccco2)c2sc3c(c12)CCCCC3.
What is the InChIKey of 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OTUZWUYIGPJKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c19-16-15-12-6-2-1-3-7-13(12)26-17(15)22(18(24)21-16)10-14(23)20-9-11-5-4-8-25-11/h4-5,8H,1-3,6-7,9-10H2,(H,20,23)(H2,19,21,24).
What are the key properties of 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-6-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53370085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).