6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

C15H13N5O4S — CID 53161935

IUPAC6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)cc1
InChIInChI=1S/C15H13N5O4S/c1-24-9-4-2-8(3-5-9)18-10(21)6-20-7-17-11-12(14(16)22)19-25-13(11)15(20)23/h2-5,7H,6H2,1H3,(H2,16,22)(H,18,21)
InChIKeyDMCNJSLTTRJBMQ-UHFFFAOYSA-N
MW359.37 g/mol
LogP0.60
Rot. Bonds5

About 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 53161935) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID53161935
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Name6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)cc1
InChIInChI=1S/C15H13N5O4S/c1-24-9-4-2-8(3-5-9)18-10(21)6-20-7-17-11-12(14(16)22)19-25-13(11)15(20)23/h2-5,7H,6H2,1H3,(H2,16,22)(H,18,21)
InChIKeyDMCNJSLTTRJBMQ-UHFFFAOYSA-N
XLogP0.60
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide (CID 53161935) is 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide is COc1ccc(NC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)cc1.
What is the InChIKey of 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is DMCNJSLTTRJBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c1-24-9-4-2-8(3-5-9)18-10(21)6-20-7-17-11-12(14(16)22)19-25-13(11)15(20)23/h2-5,7H,6H2,1H3,(H2,16,22)(H,18,21).
What are the key properties of 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide?
6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 53161935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).