4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride

C11H18Cl2N2O2S — CID 119106362

IUPAC4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride
SMILESCc1nc(C2CCN(C)CC2)sc1C(=O)O.Cl.Cl
InChIInChI=1S/C11H16N2O2S.2ClH/c1-7-9(11(14)15)16-10(12-7)8-3-5-13(2)6-4-8;;/h8H,3-6H2,1-2H3,(H,14,15);2*1H
InChIKeyJAUWKOIPWOVPBX-UHFFFAOYSA-N
MW313.25 g/mol
LogP2.80
Rot. Bonds2

About 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride

4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride (PubChem CID 119106362) has the molecular formula C11H18Cl2N2O2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride
PubChem CID119106362
Molecular FormulaC11H18Cl2N2O2S
Molecular Weight313.25 g/mol
Exact Mass312.05
IUPAC Name4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride
SMILESCc1nc(C2CCN(C)CC2)sc1C(=O)O.Cl.Cl
InChIInChI=1S/C11H16N2O2S.2ClH/c1-7-9(11(14)15)16-10(12-7)8-3-5-13(2)6-4-8;;/h8H,3-6H2,1-2H3,(H,14,15);2*1H
InChIKeyJAUWKOIPWOVPBX-UHFFFAOYSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride 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

2-Cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23020345
4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 15093930
2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2795533
2-Cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23509711
2-Butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39870055
4-Methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 43155300
2-Cyclopentyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 54595973
2-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811970
2-(3-Aminopropyl)-4-methyl-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 50988314
2-(Cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 75355439
4-Methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 137935761
2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)methyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138054100

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The IUPAC name of 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride (CID 119106362) is 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride.
What is the SMILES notation for 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The canonical SMILES for 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride is Cc1nc(C2CCN(C)CC2)sc1C(=O)O.Cl.Cl.
What is the InChIKey of 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The InChIKey is JAUWKOIPWOVPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.2ClH/c1-7-9(11(14)15)16-10(12-7)8-3-5-13(2)6-4-8;;/h8H,3-6H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride?
4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride has a molecular weight of 313.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride is sourced from PubChem (CID 119106362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).