2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid

C16H15N3O5S — CID 120523011

IUPAC2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cnc3scc(C)n3c2=O)cc1C(=O)O
InChIInChI=1S/C16H15N3O5S/c1-8-7-25-16-17-5-12(14(21)19(8)16)13(20)18(3)6-10-4-11(15(22)23)9(2)24-10/h4-5,7H,6H2,1-3H3,(H,22,23)
InChIKeyDAENPCREOJJHQB-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.94
Rot. Bonds4

About 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 120523011) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID120523011
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cnc3scc(C)n3c2=O)cc1C(=O)O
InChIInChI=1S/C16H15N3O5S/c1-8-7-25-16-17-5-12(14(21)19(8)16)13(20)18(3)6-10-4-11(15(22)23)9(2)24-10/h4-5,7H,6H2,1-3H3,(H,22,23)
InChIKeyDAENPCREOJJHQB-UHFFFAOYSA-N
XLogP1.94
TPSA105.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 120523011) is 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cnc3scc(C)n3c2=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is DAENPCREOJJHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-8-7-25-16-17-5-12(14(21)19(8)16)13(20)18(3)6-10-4-11(15(22)23)9(2)24-10/h4-5,7H,6H2,1-3H3,(H,22,23).
What are the key properties of 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 361.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 120523011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).