methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate

C13H20N4O3S — CID 58893669

IUPACmethyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate
SMILESCNCC(NC(=O)c1nc2c(s1)CN(C)CC2)C(=O)OC
InChIInChI=1S/C13H20N4O3S/c1-14-6-9(13(19)20-3)15-11(18)12-16-8-4-5-17(2)7-10(8)21-12/h9,14H,4-7H2,1-3H3,(H,15,18)
InChIKeySJVFRLUSGXJCAF-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.38
Rot. Bonds5

About methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate

methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate (PubChem CID 58893669) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate
PubChem CID58893669
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Namemethyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate
SMILESCNCC(NC(=O)c1nc2c(s1)CN(C)CC2)C(=O)OC
InChIInChI=1S/C13H20N4O3S/c1-14-6-9(13(19)20-3)15-11(18)12-16-8-4-5-17(2)7-10(8)21-12/h9,14H,4-7H2,1-3H3,(H,15,18)
InChIKeySJVFRLUSGXJCAF-UHFFFAOYSA-N
XLogP-0.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate (CID 58893669) is methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate is CNCC(NC(=O)c1nc2c(s1)CN(C)CC2)C(=O)OC.
What is the InChIKey of methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate?
The InChIKey is SJVFRLUSGXJCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-14-6-9(13(19)20-3)15-11(18)12-16-8-4-5-17(2)7-10(8)21-12/h9,14H,4-7H2,1-3H3,(H,15,18).
What are the key properties of methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate?
methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate has a molecular weight of 312.40 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 58893669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).