4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid

C18H20N4O3S — CID 56904235

IUPAC4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1csc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1
InChIInChI=1S/C18H20N4O3S/c1-13-12-26-16(19-13)11-21-8-5-18(6-9-21,17(23)24)22-7-4-14(20-22)15-3-2-10-25-15/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,23,24)
InChIKeyXMQGRKCQHGVBMT-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.98
Rot. Bonds5

About 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid

4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 56904235) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID56904235
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1csc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1
InChIInChI=1S/C18H20N4O3S/c1-13-12-26-16(19-13)11-21-8-5-18(6-9-21,17(23)24)22-7-4-14(20-22)15-3-2-10-25-15/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,23,24)
InChIKeyXMQGRKCQHGVBMT-UHFFFAOYSA-N
XLogP2.98
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid (CID 56904235) is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid is Cc1csc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XMQGRKCQHGVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13-12-26-16(19-13)11-21-8-5-18(6-9-21,17(23)24)22-7-4-14(20-22)15-3-2-10-25-15/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,23,24).
What are the key properties of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid?
4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 372.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56904235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).