2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid

C14H16N2O4S — CID 61012772

IUPAC2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1nc(-c2ccco2)sc1C
InChIInChI=1S/C14H16N2O4S/c1-3-6-16(8-11(17)18)14(19)12-9(2)21-13(15-12)10-5-4-7-20-10/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyIGMYHSSZVYIKBU-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.65
Rot. Bonds6

About 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid

2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid (PubChem CID 61012772) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
PubChem CID61012772
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1nc(-c2ccco2)sc1C
InChIInChI=1S/C14H16N2O4S/c1-3-6-16(8-11(17)18)14(19)12-9(2)21-13(15-12)10-5-4-7-20-10/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyIGMYHSSZVYIKBU-UHFFFAOYSA-N
XLogP2.65
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid (CID 61012772) is 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1nc(-c2ccco2)sc1C.
What is the InChIKey of 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The InChIKey is IGMYHSSZVYIKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-6-16(8-11(17)18)14(19)12-9(2)21-13(15-12)10-5-4-7-20-10/h4-5,7H,3,6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid has a molecular weight of 308.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 61012772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).