4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C13H20N2O2S — CID 83061710

IUPAC4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCC1CCCCN1c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-3-6-10-7-4-5-8-15(10)13-14-9(2)11(18-13)12(16)17/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyITHPFPWXVVRVRR-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.31
Rot. Bonds4

About 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 83061710) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID83061710
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCC1CCCCN1c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-3-6-10-7-4-5-8-15(10)13-14-9(2)11(18-13)12(16)17/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyITHPFPWXVVRVRR-UHFFFAOYSA-N
XLogP3.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688102
2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764931
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83221733
methyl 4-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 54926768
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62888931
2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 83062024
[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-2-yl]methanamine
CID 65168676
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
CID 65267660
2-(2-propylpiperidin-1-yl)-1,3-benzothiazol-6-amine
CID 83053118
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765118
2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031441

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 83061710) is 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is CCCC1CCCCN1c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ITHPFPWXVVRVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-6-10-7-4-5-8-15(10)13-14-9(2)11(18-13)12(16)17/h10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83061710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).