2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid

C15H11N3O2S — CID 82069424

IUPAC2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2cccnc2)nc1-c1cccnc1
InChIInChI=1S/C15H11N3O2S/c19-13(20)7-12-14(10-3-1-5-16-8-10)18-15(21-12)11-4-2-6-17-9-11/h1-6,8-9H,7H2,(H,19,20)
InChIKeyNFSXQLHQZFUVIC-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.89
Rot. Bonds4

About 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid

2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82069424) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
PubChem CID82069424
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2cccnc2)nc1-c1cccnc1
InChIInChI=1S/C15H11N3O2S/c19-13(20)7-12-14(10-3-1-5-16-8-10)18-15(21-12)11-4-2-6-17-9-11/h1-6,8-9H,7H2,(H,19,20)
InChIKeyNFSXQLHQZFUVIC-UHFFFAOYSA-N
XLogP2.89
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069331
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
CID 53494006
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
2-(4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069621
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid (CID 82069424) is 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1sc(-c2cccnc2)nc1-c1cccnc1.
What is the InChIKey of 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is NFSXQLHQZFUVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-13(20)7-12-14(10-3-1-5-16-8-10)18-15(21-12)11-4-2-6-17-9-11/h1-6,8-9H,7H2,(H,19,20).
What are the key properties of 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid?
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 297.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82069424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).