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

C12H11N3O3S — CID 62688977

IUPAC2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)Cc2cccnc2)n1
InChIInChI=1S/C12H11N3O3S/c16-10(4-8-2-1-3-13-6-8)15-12-14-9(7-19-12)5-11(17)18/h1-3,6-7H,4-5H2,(H,17,18)(H,14,15,16)
InChIKeyJMSVZSITDHPJMM-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.35
Rot. Bonds5

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

2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 62688977) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID62688977
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)Cc2cccnc2)n1
InChIInChI=1S/C12H11N3O3S/c16-10(4-8-2-1-3-13-6-8)15-12-14-9(7-19-12)5-11(17)18/h1-3,6-7H,4-5H2,(H,17,18)(H,14,15,16)
InChIKeyJMSVZSITDHPJMM-UHFFFAOYSA-N
XLogP1.35
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170592
methyl 2-[2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 47070400
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 134384658
CID 66868100
CID 66868100
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 24701768
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
2-[2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 60708471
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
N-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 45497670
2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815
2-[2-[(2-cyanoacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 86062633
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 62688977) is 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)Cc2cccnc2)n1.
What is the InChIKey of 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JMSVZSITDHPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-10(4-8-2-1-3-13-6-8)15-12-14-9(7-19-12)5-11(17)18/h1-3,6-7H,4-5H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 277.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 62688977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).