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

C15H15N3O4S — CID 4197070

IUPACN-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1
InChIInChI=1S/C15H15N3O4S/c1-21-9-3-4-12(22-2)11(7-9)17-13(19)10-8-16-15-18(14(10)20)5-6-23-15/h3-4,7-8H,5-6H2,1-2H3,(H,17,19)
InChIKeyKLRGRAWOCMJTLO-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.62
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4197070) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4197070
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1
InChIInChI=1S/C15H15N3O4S/c1-21-9-3-4-12(22-2)11(7-9)17-13(19)10-8-16-15-18(14(10)20)5-6-23-15/h3-4,7-8H,5-6H2,1-2H3,(H,17,19)
InChIKeyKLRGRAWOCMJTLO-UHFFFAOYSA-N
XLogP1.62
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 696316
N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135543449
1-allyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1483582
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4130088
N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3241234
2-[3-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 3913650
N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4046983
N-(5-chloro-2-methoxyphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4384144
N-(2,5-dimethoxyphenyl)-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7475424
N-(3-Methoxyphenyl)-2-[({5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 8263975
N-(3-methoxyphenyl)-1-methyl-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidine-5-carboxamide
CID 16813558
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4197070) is N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KLRGRAWOCMJTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-21-9-3-4-12(22-2)11(7-9)17-13(19)10-8-16-15-18(14(10)20)5-6-23-15/h3-4,7-8H,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4197070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).