2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid

C10H14N2O2S — CID 105484003

IUPAC2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCNCC2)c(C(=O)O)s1
InChIInChI=1S/C10H14N2O2S/c1-6-12-8(9(15-6)10(13)14)7-2-4-11-5-3-7/h7,11H,2-5H2,1H3,(H,13,14)
InChIKeyWPCVCRYYNLDHGC-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.62
Rot. Bonds2

About 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid

2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 105484003) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID105484003
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCNCC2)c(C(=O)O)s1
InChIInChI=1S/C10H14N2O2S/c1-6-12-8(9(15-6)10(13)14)7-2-4-11-5-3-7/h7,11H,2-5H2,1H3,(H,13,14)
InChIKeyWPCVCRYYNLDHGC-UHFFFAOYSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115037360
4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 114358774
4-methyl-2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 121199781
4-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 115048834
2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 105471885
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
2-methyl-4-piperidin-4-yl-5-pyridin-2-yl-1,3-thiazole
CID 141070519
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547
5-piperidin-4-yl-2H-triazole-4-carboxylic acid
CID 103123476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid (CID 105484003) is 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid is Cc1nc(C2CCNCC2)c(C(=O)O)s1.
What is the InChIKey of 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WPCVCRYYNLDHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-12-8(9(15-6)10(13)14)7-2-4-11-5-3-7/h7,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid?
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 105484003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).