2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide

C15H14N4O4S — CID 53153264

IUPAC2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)NCc1ccco1
InChIInChI=1S/C15H14N4O4S/c20-12(16-6-10-2-1-5-23-10)7-18-11-8-24-17-13(11)14(21)19(15(18)22)9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,16,20)
InChIKeyLXDSXKUBGUYQIQ-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.86
Rot. Bonds5

About 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide

2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 53153264) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID53153264
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)NCc1ccco1
InChIInChI=1S/C15H14N4O4S/c20-12(16-6-10-2-1-5-23-10)7-18-11-8-24-17-13(11)14(21)19(15(18)22)9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,16,20)
InChIKeyLXDSXKUBGUYQIQ-UHFFFAOYSA-N
XLogP0.86
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-methylphenyl)acetamide
CID 53153267
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 53153299
N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153302
N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 6621477
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95098159
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22429989
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 126854788
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 113195542
2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 3940386

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide (CID 53153264) is 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide is O=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)NCc1ccco1.
What is the InChIKey of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LXDSXKUBGUYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c20-12(16-6-10-2-1-5-23-10)7-18-11-8-24-17-13(11)14(21)19(15(18)22)9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,16,20).
What are the key properties of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide?
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 346.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53153264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).