N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H10FN3O2S — CID 4123582

IUPACN-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H10FN3O2S/c14-8-2-1-3-9(6-8)16-11(18)10-7-15-13-17(12(10)19)4-5-20-13/h1-3,6-7H,4-5H2,(H,16,18)
InChIKeyCXWGHEZUCQQYNR-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.74
Rot. Bonds2

About N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4123582) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4123582
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC NameN-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H10FN3O2S/c14-8-2-1-3-9(6-8)16-11(18)10-7-15-13-17(12(10)19)4-5-20-13/h1-3,6-7H,4-5H2,(H,16,18)
InChIKeyCXWGHEZUCQQYNR-UHFFFAOYSA-N
XLogP1.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4123582) is N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1cccc(F)c1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CXWGHEZUCQQYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c14-8-2-1-3-9(6-8)16-11(18)10-7-15-13-17(12(10)19)4-5-20-13/h1-3,6-7H,4-5H2,(H,16,18).
What are the key properties of N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4123582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).