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

C16H12F2N4O3S — CID 53153304

IUPAC2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F2N4O3S/c17-8-1-4-10(18)11(5-8)19-13(23)6-21-12-7-26-20-14(12)15(24)22(16(21)25)9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,19,23)
InChIKeyBKBKEOGTGFBUAF-UHFFFAOYSA-N
MW378.36 g/mol
LogP1.87
Rot. Bonds4

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

2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide (PubChem CID 53153304) has the molecular formula C16H12F2N4O3S and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide
PubChem CID53153304
Molecular FormulaC16H12F2N4O3S
Molecular Weight378.36 g/mol
Exact Mass378.06
IUPAC Name2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F2N4O3S/c17-8-1-4-10(18)11(5-8)19-13(23)6-21-12-7-26-20-14(12)15(24)22(16(21)25)9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,19,23)
InChIKeyBKBKEOGTGFBUAF-UHFFFAOYSA-N
XLogP1.87
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153302
N-(2-chlorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153266
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-(4-ethoxyphenyl)acetamide
CID 53153288
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-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153171
2-(6-ethyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 53153215
N-cyclohexyl-2-[6-[(4-fluorophenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 53153067
2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53153185
N-(2,5-difluorophenyl)-2-[(6S)-6-methyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl]acetamide
CID 95340468
N-cyclohexyl-2-[6-[(2-fluorophenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 53153087
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 53153031

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-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide (CID 53153304) is 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide is O=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide?
The InChIKey is BKBKEOGTGFBUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3S/c17-8-1-4-10(18)11(5-8)19-13(23)6-21-12-7-26-20-14(12)15(24)22(16(21)25)9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,19,23).
What are the key properties of 2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide?
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide has a molecular weight of 378.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 53153304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).