N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide

C15H11N3O4S — CID 16933442

IUPACN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N3O4S/c1-8-12(14(20)18-4-5-23-15(18)16-8)17-13(19)9-2-3-10-11(6-9)22-7-21-10/h2-6H,7H2,1H3,(H,17,19)
InChIKeyFDLFSDMFVJBASE-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.05
Rot. Bonds2

About N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 16933442) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID16933442
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N3O4S/c1-8-12(14(20)18-4-5-23-15(18)16-8)17-13(19)9-2-3-10-11(6-9)22-7-21-10/h2-6H,7H2,1H3,(H,17,19)
InChIKeyFDLFSDMFVJBASE-UHFFFAOYSA-N
XLogP2.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933440
N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 45191184
2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933497
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-(6-amino-2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43548108
N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43330066
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7151281
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 17088646
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 16841033
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide (CID 16933442) is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide is Cc1nc2sccn2c(=O)c1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is FDLFSDMFVJBASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-8-12(14(20)18-4-5-23-15(18)16-8)17-13(19)9-2-3-10-11(6-9)22-7-21-10/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide?
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 16933442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).