2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid

C18H20N2O5S — CID 119215655

IUPAC2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCOc1ccc(-c2ncc(C(=O)NC3(CC(=O)O)CCOCC3)s2)cc1
InChIInChI=1S/C18H20N2O5S/c1-24-13-4-2-12(3-5-13)17-19-11-14(26-17)16(23)20-18(10-15(21)22)6-8-25-9-7-18/h2-5,11H,6-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyVGHXHGZPWHQKFF-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid

2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid (PubChem CID 119215655) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
PubChem CID119215655
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCOc1ccc(-c2ncc(C(=O)NC3(CC(=O)O)CCOCC3)s2)cc1
InChIInChI=1S/C18H20N2O5S/c1-24-13-4-2-12(3-5-13)17-19-11-14(26-17)16(23)20-18(10-15(21)22)6-8-25-9-7-18/h2-5,11H,6-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyVGHXHGZPWHQKFF-UHFFFAOYSA-N
XLogP2.57
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid (CID 119215655) is 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid is COc1ccc(-c2ncc(C(=O)NC3(CC(=O)O)CCOCC3)s2)cc1.
What is the InChIKey of 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid?
The InChIKey is VGHXHGZPWHQKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-13-4-2-12(3-5-13)17-19-11-14(26-17)16(23)20-18(10-15(21)22)6-8-25-9-7-18/h2-5,11H,6-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid?
2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid has a molecular weight of 376.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).