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

C15H22N2O4S — CID 119211285

IUPAC2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCC(C)(C)c1ncc(C(=O)N(CC(=O)O)C2CCOCC2)s1
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)14-16-8-11(22-14)13(20)17(9-12(18)19)10-4-6-21-7-5-10/h8,10H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyOEWYORSCRUKCFU-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.15
Rot. Bonds4

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

2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid (PubChem CID 119211285) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
PubChem CID119211285
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCC(C)(C)c1ncc(C(=O)N(CC(=O)O)C2CCOCC2)s1
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)14-16-8-11(22-14)13(20)17(9-12(18)19)10-4-6-21-7-5-10/h8,10H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyOEWYORSCRUKCFU-UHFFFAOYSA-N
XLogP2.15
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid (CID 119211285) is 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid is CC(C)(C)c1ncc(C(=O)N(CC(=O)O)C2CCOCC2)s1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid?
The InChIKey is OEWYORSCRUKCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(2,3)14-16-8-11(22-14)13(20)17(9-12(18)19)10-4-6-21-7-5-10/h8,10H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid?
2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid has a molecular weight of 326.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).