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

C23H18F3N3O4S — CID 10184840

IUPAC6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)sc12
InChIInChI=1S/C23H18F3N3O4S/c1-14-20(31)28(12-16-5-3-2-4-6-16)22(32)29-13-18(34-21(14)29)19(30)27-11-15-7-9-17(10-8-15)33-23(24,25)26/h2-10,13H,11-12H2,1H3,(H,27,30)
InChIKeyBHGXXBCSWOIXNG-UHFFFAOYSA-N
MW489.48 g/mol
LogP3.71
Rot. Bonds6

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

6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (PubChem CID 10184840) has the molecular formula C23H18F3N3O4S and a molecular weight of 489.48 g/mol. Its IUPAC name is 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
PubChem CID10184840
Molecular FormulaC23H18F3N3O4S
Molecular Weight489.48 g/mol
Exact Mass489.10
IUPAC Name6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)sc12
InChIInChI=1S/C23H18F3N3O4S/c1-14-20(31)28(12-16-5-3-2-4-6-16)22(32)29-13-18(34-21(14)29)19(30)27-11-15-7-9-17(10-8-15)33-23(24,25)26/h2-10,13H,11-12H2,1H3,(H,27,30)
InChIKeyBHGXXBCSWOIXNG-UHFFFAOYSA-N
XLogP3.71
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (CID 10184840) is 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)sc12.
What is the InChIKey of 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The InChIKey is BHGXXBCSWOIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4S/c1-14-20(31)28(12-16-5-3-2-4-6-16)22(32)29-13-18(34-21(14)29)19(30)27-11-15-7-9-17(10-8-15)33-23(24,25)26/h2-10,13H,11-12H2,1H3,(H,27,30).
What are the key properties of 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide has a molecular weight of 489.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-methyl-5,7-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 10184840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).