N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C20H15FN4O2S — CID 10385947

IUPACN-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc2c(=O)n(Cc3ccc(F)cc3)cnc2s1
InChIInChI=1S/C20H15FN4O2S/c21-15-8-6-14(7-9-15)11-25-12-23-18-16(20(25)27)24-19(28-18)17(26)22-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,26)
InChIKeyLNCHMGDYXBWNHA-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.97
Rot. Bonds5

About N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 10385947) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID10385947
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc2c(=O)n(Cc3ccc(F)cc3)cnc2s1
InChIInChI=1S/C20H15FN4O2S/c21-15-8-6-14(7-9-15)11-25-12-23-18-16(20(25)27)24-19(28-18)17(26)22-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,26)
InChIKeyLNCHMGDYXBWNHA-UHFFFAOYSA-N
XLogP2.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 10385947) is N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NCc1ccccc1)c1nc2c(=O)n(Cc3ccc(F)cc3)cnc2s1.
What is the InChIKey of N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is LNCHMGDYXBWNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-15-8-6-14(7-9-15)11-25-12-23-18-16(20(25)27)24-19(28-18)17(26)22-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,26).
What are the key properties of N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 10385947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).