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

C14H11N3O4S — CID 3241234

IUPACN-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H11N3O4S/c18-12(9-6-15-14-17(13(9)19)3-4-22-14)16-8-1-2-10-11(5-8)21-7-20-10/h1-2,5-6H,3-4,7H2,(H,16,18)
InChIKeyJWYBEWDLIGFPPQ-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.33
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3241234) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3241234
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H11N3O4S/c18-12(9-6-15-14-17(13(9)19)3-4-22-14)16-8-1-2-10-11(5-8)21-7-20-10/h1-2,5-6H,3-4,7H2,(H,16,18)
InChIKeyJWYBEWDLIGFPPQ-UHFFFAOYSA-N
XLogP1.33
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2,5-dioxo-1-phenylpyrrolidin-3-yl N'-1,3-benzodioxol-5-yl-N-methylcarbamimidothioate
CID 652180
(2Z)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 2882683
(2Z)-2-(1,3-benzodioxol-5-ylimino)-3-ethyl-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 2998018
(E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3157888
N-(1,3-benzodioxol-5-yl)-2-[[6-methyl-4-oxo-3-(phenylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
CID 3243779
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4047057
N-(2,5-dimethoxyphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197070
N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 4547438
N-(benzo[d][1,3]dioxol-5-yl)-2-((3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 4559027
N-(1,3-benzodioxol-5-yl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259159
N-(benzo[d][1,3]dioxol-5-yl)-2-((7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamide
CID 7259444

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3241234) is N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JWYBEWDLIGFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-12(9-6-15-14-17(13(9)19)3-4-22-14)16-8-1-2-10-11(5-8)21-7-20-10/h1-2,5-6H,3-4,7H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3241234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).