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

C14H9F2N3O3S — CID 135853330

IUPACN-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C14H9F2N3O3S/c15-8-2-1-3-9(16)7(8)6-17-11(20)10-12(21)18-14-19(13(10)22)4-5-23-14/h1-5,21H,6H2,(H,17,20)
InChIKeyJVUIXBGEGGVUSQ-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.67
Rot. Bonds3

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

N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853330) has the molecular formula C14H9F2N3O3S and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853330
Molecular FormulaC14H9F2N3O3S
Molecular Weight337.31 g/mol
Exact Mass337.03
IUPAC NameN-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C14H9F2N3O3S/c15-8-2-1-3-9(16)7(8)6-17-11(20)10-12(21)18-14-19(13(10)22)4-5-23-14/h1-5,21H,6H2,(H,17,20)
InChIKeyJVUIXBGEGGVUSQ-UHFFFAOYSA-N
XLogP1.67
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853330) is N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1c(F)cccc1F)c1c(O)nc2sccn2c1=O.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JVUIXBGEGGVUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S/c15-8-2-1-3-9(16)7(8)6-17-11(20)10-12(21)18-14-19(13(10)22)4-5-23-14/h1-5,21H,6H2,(H,17,20).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).