3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid

C10H15N3O4S — CID 106109875

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)Nc1nc(C)c(C)s1)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5-6(2)18-10(12-5)13-9(16)11-4-7(17-3)8(14)15/h7H,4H2,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyZTKHJMLYOASVJY-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.98
Rot. Bonds5

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid

3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid (PubChem CID 106109875) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid
PubChem CID106109875
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)Nc1nc(C)c(C)s1)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5-6(2)18-10(12-5)13-9(16)11-4-7(17-3)8(14)15/h7H,4H2,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyZTKHJMLYOASVJY-UHFFFAOYSA-N
XLogP0.98
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid (CID 106109875) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid is COC(CNC(=O)Nc1nc(C)c(C)s1)C(=O)O.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid?
The InChIKey is ZTKHJMLYOASVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-5-6(2)18-10(12-5)13-9(16)11-4-7(17-3)8(14)15/h7H,4H2,1-3H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).