6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide

C23H20FN3O4S — CID 10184877

IUPAC6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn3c(=O)n(Cc4ccccc4)c(=O)c(C)c3s2)cc1F
InChIInChI=1S/C23H20FN3O4S/c1-14-21(29)26(12-15-6-4-3-5-7-15)23(30)27-13-19(32-22(14)27)20(28)25-11-16-8-9-18(31-2)17(24)10-16/h3-10,13H,11-12H2,1-2H3,(H,25,28)
InChIKeySRVKIJRZAMKUQX-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.96
Rot. Bonds6

About 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide

6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (PubChem CID 10184877) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
PubChem CID10184877
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC Name6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn3c(=O)n(Cc4ccccc4)c(=O)c(C)c3s2)cc1F
InChIInChI=1S/C23H20FN3O4S/c1-14-21(29)26(12-15-6-4-3-5-7-15)23(30)27-13-19(32-22(14)27)20(28)25-11-16-8-9-18(31-2)17(24)10-16/h3-10,13H,11-12H2,1-2H3,(H,25,28)
InChIKeySRVKIJRZAMKUQX-UHFFFAOYSA-N
XLogP2.96
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (CID 10184877) is 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is COc1ccc(CNC(=O)c2cn3c(=O)n(Cc4ccccc4)c(=O)c(C)c3s2)cc1F.
What is the InChIKey of 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The InChIKey is SRVKIJRZAMKUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-14-21(29)26(12-15-6-4-3-5-7-15)23(30)27-13-19(32-22(14)27)20(28)25-11-16-8-9-18(31-2)17(24)10-16/h3-10,13H,11-12H2,1-2H3,(H,25,28).
What are the key properties of 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 10184877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).