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

C23H20FN3O3S — CID 10137970

IUPACN-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCc1c(=O)n(C(C)c2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(F)cc3)sc12
InChIInChI=1S/C23H20FN3O3S/c1-14-21(29)27(15(2)17-6-4-3-5-7-17)23(30)26-13-19(31-22(14)26)20(28)25-12-16-8-10-18(24)11-9-16/h3-11,13,15H,12H2,1-2H3,(H,25,28)
InChIKeyIGCROFIQFOUYOP-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.51
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (PubChem CID 10137970) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
PubChem CID10137970
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC NameN-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESCc1c(=O)n(C(C)c2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(F)cc3)sc12
InChIInChI=1S/C23H20FN3O3S/c1-14-21(29)27(15(2)17-6-4-3-5-7-17)23(30)26-13-19(31-22(14)26)20(28)25-12-16-8-10-18(24)11-9-16/h3-11,13,15H,12H2,1-2H3,(H,25,28)
InChIKeyIGCROFIQFOUYOP-UHFFFAOYSA-N
XLogP3.51
TPSA72.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (CID 10137970) is N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is Cc1c(=O)n(C(C)c2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(F)cc3)sc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The InChIKey is IGCROFIQFOUYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-14-21(29)27(15(2)17-6-4-3-5-7-17)23(30)26-13-19(31-22(14)26)20(28)25-12-16-8-10-18(24)11-9-16/h3-11,13,15H,12H2,1-2H3,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-(1-phenylethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 10137970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).