methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate

C11H18N2O2S — CID 107039998

IUPACmethyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCCCN(C)c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C11H18N2O2S/c1-4-7-13(2)11-12-9(8-16-11)5-6-10(14)15-3/h8H,4-7H2,1-3H3
InChIKeyCZVNGTYITKJKDA-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.09
Rot. Bonds6

About methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate

methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate (PubChem CID 107039998) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
PubChem CID107039998
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCCCN(C)c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C11H18N2O2S/c1-4-7-13(2)11-12-9(8-16-11)5-6-10(14)15-3/h8H,4-7H2,1-3H3
InChIKeyCZVNGTYITKJKDA-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate (CID 107039998) is methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate is CCCN(C)c1nc(CCC(=O)OC)cs1.
What is the InChIKey of methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is CZVNGTYITKJKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-7-13(2)11-12-9(8-16-11)5-6-10(14)15-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 242.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).