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

C11H16N2O2S — CID 91811977

IUPAC4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCN(C)CC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O2S/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)
InChIKeyHNBJCPAOQRKILM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.96
Rot. Bonds2

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

4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 91811977) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID91811977
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCN(C)CC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O2S/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)
InChIKeyHNBJCPAOQRKILM-UHFFFAOYSA-N
XLogP1.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23020345
4-Methyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 13835293
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-Tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
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
4-Methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 119106362
2-(Cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 75355439

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid (CID 91811977) is 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid is Cc1nc(C2CCN(C)CC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HNBJCPAOQRKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/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).
What are the key properties of 4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 91811977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).