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

C14H13N3O2S — CID 3242567

IUPACN-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1
InChIInChI=1S/C14H13N3O2S/c1-9-3-2-4-10(7-9)16-12(18)11-8-15-14-17(13(11)19)5-6-20-14/h2-4,7-8H,5-6H2,1H3,(H,16,18)
InChIKeyXSYXZXJLVAHLEA-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.91
Rot. Bonds2

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

N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3242567) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3242567
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1
InChIInChI=1S/C14H13N3O2S/c1-9-3-2-4-10(7-9)16-12(18)11-8-15-14-17(13(11)19)5-6-20-14/h2-4,7-8H,5-6H2,1H3,(H,16,18)
InChIKeyXSYXZXJLVAHLEA-UHFFFAOYSA-N
XLogP1.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3242567) is N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1.
What is the InChIKey of N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XSYXZXJLVAHLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-3-2-4-10(7-9)16-12(18)11-8-15-14-17(13(11)19)5-6-20-14/h2-4,7-8H,5-6H2,1H3,(H,16,18).
What are the key properties of N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-methylphenyl)-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 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3242567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).