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

C14H10FN3O3S — CID 135853310

IUPACN-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C14H10FN3O3S/c15-9-3-1-8(2-4-9)7-16-11(19)10-12(20)17-14-18(13(10)21)5-6-22-14/h1-6,20H,7H2,(H,16,19)
InChIKeyVPGSDTUBRBPVKO-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.53
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853310) has the molecular formula C14H10FN3O3S and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853310
Molecular FormulaC14H10FN3O3S
Molecular Weight319.32 g/mol
Exact Mass319.04
IUPAC NameN-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C14H10FN3O3S/c15-9-3-1-8(2-4-9)7-16-11(19)10-12(20)17-14-18(13(10)21)5-6-22-14/h1-6,20H,7H2,(H,16,19)
InChIKeyVPGSDTUBRBPVKO-UHFFFAOYSA-N
XLogP1.53
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853310) is N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)nc2sccn2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VPGSDTUBRBPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S/c15-9-3-1-8(2-4-9)7-16-11(19)10-12(20)17-14-18(13(10)21)5-6-22-14/h1-6,20H,7H2,(H,16,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).