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

C16H13N3O4S — CID 7260700

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)cnc2s1
InChIInChI=1S/C16H13N3O4S/c1-9-7-19-15(21)11(6-18-16(19)24-9)14(20)17-5-10-2-3-12-13(4-10)23-8-22-12/h2-4,6-7H,5,8H2,1H3,(H,17,20)
InChIKeyBMRBXMZAMXITQH-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.72
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 7260700) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID7260700
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)cnc2s1
InChIInChI=1S/C16H13N3O4S/c1-9-7-19-15(21)11(6-18-16(19)24-9)14(20)17-5-10-2-3-12-13(4-10)23-8-22-12/h2-4,6-7H,5,8H2,1H3,(H,17,20)
InChIKeyBMRBXMZAMXITQH-UHFFFAOYSA-N
XLogP1.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
CID 135509360
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 135402517
N-(1,3-benzodioxol-5-ylmethyl)-2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 663493
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 665716
N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 3237790
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4612092
(2E)-6-acetyl-2-(1,3-benzodioxol-5-ylmethylene)-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 5287341
N-[(4-Ethoxy-3-methoxyphenyl)methyl]-2-(morpholin-4-YL)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 16026048
N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-oxo-2-(pyrrolidin-1-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 16026060
2-((2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl)thio)-N-(3-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 16832364
N-Benzo[1,3]dioxol-5-ylmethyl-2-(5-hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-acetamide
CID 135450646
N-(benzo[d][1,3]dioxol-5-ylmethyl)-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853313

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 7260700) is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)cnc2s1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BMRBXMZAMXITQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-9-7-19-15(21)11(6-18-16(19)24-9)14(20)17-5-10-2-3-12-13(4-10)23-8-22-12/h2-4,6-7H,5,8H2,1H3,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.72, 3 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-ylmethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 7260700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).