2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid

C12H16N2O3S — CID 120521194

IUPAC2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESCC(C)c1ncc(C(=O)NC(C(=O)O)C2CC2)s1
InChIInChI=1S/C12H16N2O3S/c1-6(2)11-13-5-8(18-11)10(15)14-9(12(16)17)7-3-4-7/h5-7,9H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVEPBQNMYGQOUPK-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.86
Rot. Bonds5

About 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid (PubChem CID 120521194) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
PubChem CID120521194
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESCC(C)c1ncc(C(=O)NC(C(=O)O)C2CC2)s1
InChIInChI=1S/C12H16N2O3S/c1-6(2)11-13-5-8(18-11)10(15)14-9(12(16)17)7-3-4-7/h5-7,9H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVEPBQNMYGQOUPK-UHFFFAOYSA-N
XLogP1.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid (CID 120521194) is 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid is CC(C)c1ncc(C(=O)NC(C(=O)O)C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The InChIKey is VEPBQNMYGQOUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-6(2)11-13-5-8(18-11)10(15)14-9(12(16)17)7-3-4-7/h5-7,9H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid has a molecular weight of 268.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 120521194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).