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

C16H12ClFN4O3S — CID 53153302

IUPACN-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
SMILESO=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H12ClFN4O3S/c17-8-1-4-11(10(18)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)
InChIKeyLZNRIJCAFDIGAP-UHFFFAOYSA-N
MW394.82 g/mol
LogP2.39
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide (PubChem CID 53153302) has the molecular formula C16H12ClFN4O3S and a molecular weight of 394.82 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
PubChem CID53153302
Molecular FormulaC16H12ClFN4O3S
Molecular Weight394.82 g/mol
Exact Mass394.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
SMILESO=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H12ClFN4O3S/c17-8-1-4-11(10(18)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)
InChIKeyLZNRIJCAFDIGAP-UHFFFAOYSA-N
XLogP2.39
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide
CID 53153304
N-(2-chlorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153266
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-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
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 53153264
N-cyclohexyl-2-[6-[(4-fluorophenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 53153067
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53153032
N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923932
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 N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide (CID 53153302) is N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide is O=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The InChIKey is LZNRIJCAFDIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O3S/c17-8-1-4-11(10(18)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 N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 394.82 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 53153302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).