2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

C19H13F4N5O4S — CID 53390111

IUPAC2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)cs3)onc2n(C)c1=O
InChIInChI=1S/C19H13F4N5O4S/c1-27-15-14(16(30)28(2)18(27)31)12(32-26-15)6-13(29)25-17-24-11(7-33-17)8-3-4-10(20)9(5-8)19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)
InChIKeyKHHQGOPHBXCKRZ-UHFFFAOYSA-N
MW483.40 g/mol
LogP2.69
Rot. Bonds4

About 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 53390111) has the molecular formula C19H13F4N5O4S and a molecular weight of 483.40 g/mol. Its IUPAC name is 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID53390111
Molecular FormulaC19H13F4N5O4S
Molecular Weight483.40 g/mol
Exact Mass483.06
IUPAC Name2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)cs3)onc2n(C)c1=O
InChIInChI=1S/C19H13F4N5O4S/c1-27-15-14(16(30)28(2)18(27)31)12(32-26-15)6-13(29)25-17-24-11(7-33-17)8-3-4-10(20)9(5-8)19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)
InChIKeyKHHQGOPHBXCKRZ-UHFFFAOYSA-N
XLogP2.69
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 88904480
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 46947247
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
N-[4-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)acetamide
CID 46926860
CID 118023868
CID 118023868
2-(6-chloro-1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 53391244
2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 90905567
N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 86762207
N-[4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 46918233
2-(6-bromo-1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 53391331
N-[4-[2,3-difluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide
CID 44594710
2-(3-cyclopropyl-1,6-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87293373

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 53390111) is 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)cs3)onc2n(C)c1=O.
What is the InChIKey of 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KHHQGOPHBXCKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5O4S/c1-27-15-14(16(30)28(2)18(27)31)12(32-26-15)6-13(29)25-17-24-11(7-33-17)8-3-4-10(20)9(5-8)19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29).
What are the key properties of 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 483.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 53390111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).