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

C9H12N2O3S — CID 69479782

IUPAC2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCC(C)c1nc(C(=O)NCC(=O)O)cs1
InChIInChI=1S/C9H12N2O3S/c1-5(2)9-11-6(4-15-9)8(14)10-3-7(12)13/h4-5H,3H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyBWDRJRJFORADED-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.08
Rot. Bonds4

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

2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 69479782) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID69479782
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCC(C)c1nc(C(=O)NCC(=O)O)cs1
InChIInChI=1S/C9H12N2O3S/c1-5(2)9-11-6(4-15-9)8(14)10-3-7(12)13/h4-5H,3H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyBWDRJRJFORADED-UHFFFAOYSA-N
XLogP1.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid (CID 69479782) is 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid is CC(C)c1nc(C(=O)NCC(=O)O)cs1.
What is the InChIKey of 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is BWDRJRJFORADED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5(2)9-11-6(4-15-9)8(14)10-3-7(12)13/h4-5H,3H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 228.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 69479782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).