4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid

C10H14N2O2S — CID 96603326

IUPAC4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCNCC2)sn1
InChIInChI=1S/C10H14N2O2S/c1-7-6-8(15-12-7)10(9(13)14)2-4-11-5-3-10/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyWHJCLRFAODDCTR-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.16
Rot. Bonds2

About 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid

4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 96603326) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid
PubChem CID96603326
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCNCC2)sn1
InChIInChI=1S/C10H14N2O2S/c1-7-6-8(15-12-7)10(9(13)14)2-4-11-5-3-10/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyWHJCLRFAODDCTR-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid (CID 96603326) is 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid is Cc1cc(C2(C(=O)O)CCNCC2)sn1.
What is the InChIKey of 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is WHJCLRFAODDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-6-8(15-12-7)10(9(13)14)2-4-11-5-3-10/h6,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 96603326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).