2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

C9H12N2O2S — CID 104770608

IUPAC2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(NC2CC2)C(=O)O)n1
InChIInChI=1S/C9H12N2O2S/c1-5-4-14-8(10-5)7(9(12)13)11-6-2-3-6/h4,6-7,11H,2-3H2,1H3,(H,12,13)
InChIKeyNXEFYGSVFBEXGC-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.33
Rot. Bonds4

About 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 104770608) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
PubChem CID104770608
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(NC2CC2)C(=O)O)n1
InChIInChI=1S/C9H12N2O2S/c1-5-4-14-8(10-5)7(9(12)13)11-6-2-3-6/h4,6-7,11H,2-3H2,1H3,(H,12,13)
InChIKeyNXEFYGSVFBEXGC-UHFFFAOYSA-N
XLogP1.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid
CID 102765843
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770728
N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66116491
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257
N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine
CID 55128930
N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 106531783
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770725

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (CID 104770608) is 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is Cc1csc(C(NC2CC2)C(=O)O)n1.
What is the InChIKey of 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is NXEFYGSVFBEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-5-4-14-8(10-5)7(9(12)13)11-6-2-3-6/h4,6-7,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 212.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 104770608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).