5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid

C14H22N2O2S — CID 82069040

IUPAC5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC1CCN(Cc2sc(C(C)C)nc2C(=O)O)CC1
InChIInChI=1S/C14H22N2O2S/c1-9(2)13-15-12(14(17)18)11(19-13)8-16-6-4-10(3)5-7-16/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyDTMXQBRYFHIIOY-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.20
Rot. Bonds4

About 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid

5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 82069040) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID82069040
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC1CCN(Cc2sc(C(C)C)nc2C(=O)O)CC1
InChIInChI=1S/C14H22N2O2S/c1-9(2)13-15-12(14(17)18)11(19-13)8-16-6-4-10(3)5-7-16/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyDTMXQBRYFHIIOY-UHFFFAOYSA-N
XLogP3.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82435312
2-[2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82069204
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
2,2-dimethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726727
2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82068983
2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108726679
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191374
2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435296
(E)-3-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82427524
5-(piperazin-1-ylmethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069176
5-(oxan-3-yl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510949

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid (CID 82069040) is 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid is CC1CCN(Cc2sc(C(C)C)nc2C(=O)O)CC1.
What is the InChIKey of 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is DTMXQBRYFHIIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9(2)13-15-12(14(17)18)11(19-13)8-16-6-4-10(3)5-7-16/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82069040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).