2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid

C12H12N2O2S2 — CID 104527011

IUPAC2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCSc1ccc(-c2nc(C(N)C(=O)O)cs2)cc1
InChIInChI=1S/C12H12N2O2S2/c1-17-8-4-2-7(3-5-8)11-14-9(6-18-11)10(13)12(15)16/h2-6,10H,13H2,1H3,(H,15,16)
InChIKeyBMTXXMIJWLOYCE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.62
Rot. Bonds4

About 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527011) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527011
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCSc1ccc(-c2nc(C(N)C(=O)O)cs2)cc1
InChIInChI=1S/C12H12N2O2S2/c1-17-8-4-2-7(3-5-8)11-14-9(6-18-11)10(13)12(15)16/h2-6,10H,13H2,1H3,(H,15,16)
InChIKeyBMTXXMIJWLOYCE-UHFFFAOYSA-N
XLogP2.62
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527137
2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 104527042
2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
CID 104527084
2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527015
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
2-amino-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527102
2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527032
N-[1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545116
2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid
CID 104527079
1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine
CID 106850249
1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine
CID 106850261
2-amino-2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527034

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid (CID 104527011) is 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid is CSc1ccc(-c2nc(C(N)C(=O)O)cs2)cc1.
What is the InChIKey of 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BMTXXMIJWLOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-17-8-4-2-7(3-5-8)11-14-9(6-18-11)10(13)12(15)16/h2-6,10H,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).