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

C11H11N3O2S — CID 80576595

IUPAC2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ncccc1Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H11N3O2S/c1-7-9(3-2-4-12-7)14-11-13-8(6-17-11)5-10(15)16/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyZVAKCZPYHNLYDW-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.22
Rot. Bonds4

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

2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576595) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80576595
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ncccc1Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H11N3O2S/c1-7-9(3-2-4-12-7)14-11-13-8(6-17-11)5-10(15)16/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyZVAKCZPYHNLYDW-UHFFFAOYSA-N
XLogP2.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(isoquinolin-5-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574746
2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576847
3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103485917
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80575425
2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576564
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576751
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 24701768
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 80576595) is 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid is Cc1ncccc1Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZVAKCZPYHNLYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-9(3-2-4-12-7)14-11-13-8(6-17-11)5-10(15)16/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 249.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).