2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid

C15H16N2O6S — CID 2817788

IUPAC2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O6S/c1-21-10-4-8(5-11(22-2)13(10)23-3)14(20)17-15-16-9(7-24-15)6-12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19)(H,16,17,20)
InChIKeyBWYHAXUMWZQWFZ-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.05
Rot. Bonds7

About 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 2817788) has the molecular formula C15H16N2O6S and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID2817788
Molecular FormulaC15H16N2O6S
Molecular Weight352.37 g/mol
Exact Mass352.07
IUPAC Name2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O6S/c1-21-10-4-8(5-11(22-2)13(10)23-3)14(20)17-15-16-9(7-24-15)6-12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19)(H,16,17,20)
InChIKeyBWYHAXUMWZQWFZ-UHFFFAOYSA-N
XLogP2.05
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 2817788) is 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is COc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC)c1OC.
What is the InChIKey of 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BWYHAXUMWZQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S/c1-21-10-4-8(5-11(22-2)13(10)23-3)14(20)17-15-16-9(7-24-15)6-12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19)(H,16,17,20).
What are the key properties of 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 352.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 2817788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).