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

C13H18N2O4S — CID 126795251

IUPAC2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCCc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)s1
InChIInChI=1S/C13H18N2O4S/c1-2-11-14-7-10(20-11)13(18)15(8-12(16)17)9-3-5-19-6-4-9/h7,9H,2-6,8H2,1H3,(H,16,17)
InChIKeyKUWHGNBWNDLMJA-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.41
Rot. Bonds5

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

2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid (PubChem CID 126795251) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
PubChem CID126795251
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCCc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)s1
InChIInChI=1S/C13H18N2O4S/c1-2-11-14-7-10(20-11)13(18)15(8-12(16)17)9-3-5-19-6-4-9/h7,9H,2-6,8H2,1H3,(H,16,17)
InChIKeyKUWHGNBWNDLMJA-UHFFFAOYSA-N
XLogP1.41
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid (CID 126795251) is 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid is CCc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid?
The InChIKey is KUWHGNBWNDLMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-11-14-7-10(20-11)13(18)15(8-12(16)17)9-3-5-19-6-4-9/h7,9H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid?
2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid has a molecular weight of 298.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 126795251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).