2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid

C13H14N2O2S — CID 83969992

IUPAC2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid
SMILESCc1nc(N)sc1Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H14N2O2S/c1-8-11(18-13(14)15-8)6-9-2-4-10(5-3-9)7-12(16)17/h2-5H,6-7H2,1H3,(H2,14,15)(H,16,17)
InChIKeyXPTCKXAQKJLSTC-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid

2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid (PubChem CID 83969992) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid
PubChem CID83969992
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid
SMILESCc1nc(N)sc1Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H14N2O2S/c1-8-11(18-13(14)15-8)6-9-2-4-10(5-3-9)7-12(16)17/h2-5H,6-7H2,1H3,(H2,14,15)(H,16,17)
InChIKeyXPTCKXAQKJLSTC-UHFFFAOYSA-N
XLogP2.25
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 83969989
2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970097
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637228
5-(aminomethyl)-4-methyl-1,3-thiazol-2-amine
CID 24820452
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233
2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate
CID 12513480
5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637240
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 43637201
2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662495
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 86811771

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid (CID 83969992) is 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid is Cc1nc(N)sc1Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid?
The InChIKey is XPTCKXAQKJLSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-11(18-13(14)15-8)6-9-2-4-10(5-3-9)7-12(16)17/h2-5H,6-7H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid?
2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid has a molecular weight of 262.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 83969992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).