2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid

C13H15N3O2S — CID 82227655

IUPAC2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESCN(C)CCc1nc(-c2cccnc2)c(C(=O)O)s1
InChIInChI=1S/C13H15N3O2S/c1-16(2)7-5-10-15-11(12(19-10)13(17)18)9-4-3-6-14-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,17,18)
InChIKeyWNECHDFXTFVISW-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid

2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82227655) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82227655
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESCN(C)CCc1nc(-c2cccnc2)c(C(=O)O)s1
InChIInChI=1S/C13H15N3O2S/c1-16(2)7-5-10-15-11(12(19-10)13(17)18)9-4-3-6-14-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,17,18)
InChIKeyWNECHDFXTFVISW-UHFFFAOYSA-N
XLogP2.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[butyl(ethyl)amino]methyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94971044
2-[2-(dimethylamino)ethyl]-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227648
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
2-[2-(dimethylamino)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 115345538
2-[(dimethylamino)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227413
2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970678
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
4-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970742
2-ethyl-5-phenyl-4-pyridin-3-yl-1,3-thiazole
CID 22993797
2-[(dimethylamino)methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82227419
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (CID 82227655) is 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is CN(C)CCc1nc(-c2cccnc2)c(C(=O)O)s1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WNECHDFXTFVISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(2)7-5-10-15-11(12(19-10)13(17)18)9-4-3-6-14-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).