methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate

C14H17N3O4S — CID 51255350

IUPACmethyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C14H17N3O4S/c1-8(2)6-10(13(20)21-3)16-11(18)9-7-15-14-17(12(9)19)4-5-22-14/h4-5,7-8,10H,6H2,1-3H3,(H,16,18)
InChIKeyGUYRGLZXHFDCFU-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.07
Rot. Bonds5

About methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate

methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate (PubChem CID 51255350) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate
PubChem CID51255350
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Namemethyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C14H17N3O4S/c1-8(2)6-10(13(20)21-3)16-11(18)9-7-15-14-17(12(9)19)4-5-22-14/h4-5,7-8,10H,6H2,1-3H3,(H,16,18)
InChIKeyGUYRGLZXHFDCFU-UHFFFAOYSA-N
XLogP1.07
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate (CID 51255350) is methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate?
The InChIKey is GUYRGLZXHFDCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-8(2)6-10(13(20)21-3)16-11(18)9-7-15-14-17(12(9)19)4-5-22-14/h4-5,7-8,10H,6H2,1-3H3,(H,16,18).
What are the key properties of methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate?
methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate has a molecular weight of 323.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate is sourced from PubChem (CID 51255350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).