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

C13H20N2O2S — CID 43440901

IUPAC1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCCc1nc(CN2CCCC(C(=O)O)C2)cs1
InChIInChI=1S/C13H20N2O2S/c1-2-4-12-14-11(9-18-12)8-15-6-3-5-10(7-15)13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyKCNJTUUIFNQCMD-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.39
Rot. Bonds5

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

1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 43440901) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID43440901
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCCc1nc(CN2CCCC(C(=O)O)C2)cs1
InChIInChI=1S/C13H20N2O2S/c1-2-4-12-14-11(9-18-12)8-15-6-3-5-10(7-15)13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyKCNJTUUIFNQCMD-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106814013
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
N,N-diethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 86870585
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784529
3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 63137440
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 43440901) is 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid is CCCc1nc(CN2CCCC(C(=O)O)C2)cs1.
What is the InChIKey of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is KCNJTUUIFNQCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-4-12-14-11(9-18-12)8-15-6-3-5-10(7-15)13(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid?
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).