2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid

C8H12N2O2S — CID 115022000

IUPAC2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid
SMILESCC(C)(N)c1cnc(CC(=O)O)s1
InChIInChI=1S/C8H12N2O2S/c1-8(2,9)5-4-10-6(13-5)3-7(11)12/h4H,3,9H2,1-2H3,(H,11,12)
InChIKeyUKEULDAQFNKZQJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.96
Rot. Bonds3

About 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid

2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 115022000) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid
PubChem CID115022000
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid
SMILESCC(C)(N)c1cnc(CC(=O)O)s1
InChIInChI=1S/C8H12N2O2S/c1-8(2,9)5-4-10-6(13-5)3-7(11)12/h4H,3,9H2,1-2H3,(H,11,12)
InChIKeyUKEULDAQFNKZQJ-UHFFFAOYSA-N
XLogP0.96
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-1,3-thiazol-2-yl)acetic acid
CID 66224113
2-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82191402
2-(5-nitro-1,3-thiazol-2-yl)acetic acid
CID 102771968
2-(5-hexyl-1,3-thiazol-2-yl)acetic acid
CID 3681414
2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82191090
5-(5-bromo-1,3-thiazol-2-yl)-4-oxopentanoic acid
CID 23905714
2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82190839
2-[2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82191095
2-[2,5-bis(2-iodopropan-2-yl)thiophen-3-yl]acetic acid
CID 146602859
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-5-yl]acetic acid
CID 71744301
tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
CID 158284808
2-(2-amino-1,3-thiazol-5-yl)acetic acid;methoxymethane
CID 126619372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid (CID 115022000) is 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid is CC(C)(N)c1cnc(CC(=O)O)s1.
What is the InChIKey of 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is UKEULDAQFNKZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,9)5-4-10-6(13-5)3-7(11)12/h4H,3,9H2,1-2H3,(H,11,12).
What are the key properties of 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid?
2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 200.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopropan-2-yl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 115022000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).