2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid

C10H16N2O2S — CID 63120673

IUPAC2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid
SMILESCC(C)(C)c1ncc(CNCC(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)9-12-5-7(15-9)4-11-6-8(13)14/h5,11H,4,6H2,1-3H3,(H,13,14)
InChIKeyJWVZSKNVQZMZDJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.61
Rot. Bonds4

About 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid

2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid (PubChem CID 63120673) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid
PubChem CID63120673
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid
SMILESCC(C)(C)c1ncc(CNCC(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)9-12-5-7(15-9)4-11-6-8(13)14/h5,11H,4,6H2,1-3H3,(H,13,14)
InChIKeyJWVZSKNVQZMZDJ-UHFFFAOYSA-N
XLogP1.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid (CID 63120673) is 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid is CC(C)(C)c1ncc(CNCC(=O)O)s1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid?
The InChIKey is JWVZSKNVQZMZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2,3)9-12-5-7(15-9)4-11-6-8(13)14/h5,11H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid?
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid has a molecular weight of 228.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 63120673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).