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

C11H17N3O2S — CID 62752950

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCN(C)C1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C11H17N3O2S/c1-13(2)8-3-5-14(6-4-8)11-12-7-9(17-11)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyTWMGLOMTBUBOBD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.37
Rot. Bonds3

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

2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 62752950) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID62752950
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCN(C)C1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C11H17N3O2S/c1-13(2)8-3-5-14(6-4-8)11-12-7-9(17-11)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyTWMGLOMTBUBOBD-UHFFFAOYSA-N
XLogP1.37
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672
2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 71208660
2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 132554665
2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752952
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63168560
2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62775464
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571323
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62968494
methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
CID 80571882
methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571616
1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 166603326
1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
CID 62756912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 62752950) is 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is CN(C)C1CCN(c2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is TWMGLOMTBUBOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-13(2)8-3-5-14(6-4-8)11-12-7-9(17-11)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62752950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).