2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid

C16H15N3O2S2 — CID 59384926

IUPAC2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
SMILESCN(C)c1ccc(-c2nc(-c3cccs3)c(CC(=O)O)s2)cn1
InChIInChI=1S/C16H15N3O2S2/c1-19(2)13-6-5-10(9-17-13)16-18-15(11-4-3-7-22-11)12(23-16)8-14(20)21/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyWYJGIBJTOCGFJK-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.63
Rot. Bonds5

About 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid

2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid (PubChem CID 59384926) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
PubChem CID59384926
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
SMILESCN(C)c1ccc(-c2nc(-c3cccs3)c(CC(=O)O)s2)cn1
InChIInChI=1S/C16H15N3O2S2/c1-19(2)13-6-5-10(9-17-13)16-18-15(11-4-3-7-22-11)12(23-16)8-14(20)21/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyWYJGIBJTOCGFJK-UHFFFAOYSA-N
XLogP3.63
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridin-2-amine
CID 142178647
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
2-[4-(5-chlorothiophen-2-yl)-2-(6-ethoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetic acid
CID 59384686
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035806
2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2499665
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 39575691
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 55916212
N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 38173223

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid (CID 59384926) is 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid is CN(C)c1ccc(-c2nc(-c3cccs3)c(CC(=O)O)s2)cn1.
What is the InChIKey of 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WYJGIBJTOCGFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-19(2)13-6-5-10(9-17-13)16-18-15(11-4-3-7-22-11)12(23-16)8-14(20)21/h3-7,9H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid?
2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 345.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 59384926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).