N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H13N3O4S — CID 4047057

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c(=O)n12
InChIInChI=1S/C16H13N3O4S/c1-9-8-24-16-17-7-11(15(21)19(9)16)14(20)18-10-2-3-12-13(6-10)23-5-4-22-12/h2-3,6-8H,4-5H2,1H3,(H,18,20)
InChIKeyIATNOHDXNTYYTM-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.09
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4047057) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4047057
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c(=O)n12
InChIInChI=1S/C16H13N3O4S/c1-9-8-24-16-17-7-11(15(21)19(9)16)14(20)18-10-2-3-12-13(6-10)23-5-4-22-12/h2-3,6-8H,4-5H2,1H3,(H,18,20)
InChIKeyIATNOHDXNTYYTM-UHFFFAOYSA-N
XLogP2.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860074
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 135460604
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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155329
N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2536956
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3239791
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3240264
N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3241234
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3241382
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-(2-methoxyethyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3604857
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 4825943
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256633

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4047057) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c(=O)n12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IATNOHDXNTYYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-9-8-24-16-17-7-11(15(21)19(9)16)14(20)18-10-2-3-12-13(6-10)23-5-4-22-12/h2-3,6-8H,4-5H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4047057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).