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

C14H13N3O2S — CID 3235738

IUPACN-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H13N3O2S/c18-12(15-8-10-4-2-1-3-5-10)11-9-16-14-17(13(11)19)6-7-20-14/h1-5,9H,6-8H2,(H,15,18)
InChIKeyLTHJSWWWQHDHLR-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.28
Rot. Bonds3

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

N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3235738) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3235738
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H13N3O2S/c18-12(15-8-10-4-2-1-3-5-10)11-9-16-14-17(13(11)19)6-7-20-14/h1-5,9H,6-8H2,(H,15,18)
InChIKeyLTHJSWWWQHDHLR-UHFFFAOYSA-N
XLogP1.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3235738) is N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccccc1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LTHJSWWWQHDHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-12(15-8-10-4-2-1-3-5-10)11-9-16-14-17(13(11)19)6-7-20-14/h1-5,9H,6-8H2,(H,15,18).
What are the key properties of N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3235738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).