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

C19H16FN5O3S2 — CID 58046585

IUPAC2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1
InChIInChI=1S/C19H16FN5O3S2/c1-9-4-5-10(11(20)6-9)13-8-29-18(21-13)22-14(26)7-12-15-16(27)24(2)19(28)25(3)17(15)30-23-12/h4-6,8H,7H2,1-3H3,(H,21,22,26)
InChIKeyPUKIAUDCURTJAA-UHFFFAOYSA-N
MW445.50 g/mol
LogP2.45
Rot. Bonds4

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

2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 58046585) has the molecular formula C19H16FN5O3S2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID58046585
Molecular FormulaC19H16FN5O3S2
Molecular Weight445.50 g/mol
Exact Mass445.07
IUPAC Name2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1
InChIInChI=1S/C19H16FN5O3S2/c1-9-4-5-10(11(20)6-9)13-8-29-18(21-13)22-14(26)7-12-15-16(27)24(2)19(28)25(3)17(15)30-23-12/h4-6,8H,7H2,1-3H3,(H,21,22,26)
InChIKeyPUKIAUDCURTJAA-UHFFFAOYSA-N
XLogP2.45
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 88544122
2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
CID 87277374
CID 118023868
CID 118023868
N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 46918029
3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide
CID 91427639
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 8753150
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
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide
CID 46928152
2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 44595699
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 58046585) is 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1.
What is the InChIKey of 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PUKIAUDCURTJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O3S2/c1-9-4-5-10(11(20)6-9)13-8-29-18(21-13)22-14(26)7-12-15-16(27)24(2)19(28)25(3)17(15)30-23-12/h4-6,8H,7H2,1-3H3,(H,21,22,26).
What are the key properties of 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 445.50 g/mol, XLogP of 2.45, 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]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 58046585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).