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

C12H17N3O3S — CID 55170532

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1ncsc1CNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-8-10(19-7-14-8)6-13-12(18)15-5-3-2-4-9(15)11(16)17/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyPKIOIPJCIYWEKB-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.60
Rot. Bonds3

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

1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 55170532) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID55170532
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1ncsc1CNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-8-10(19-7-14-8)6-13-12(18)15-5-3-2-4-9(15)11(16)17/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyPKIOIPJCIYWEKB-UHFFFAOYSA-N
XLogP1.60
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 55170532) is 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid is Cc1ncsc1CNC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is PKIOIPJCIYWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-10(19-7-14-8)6-13-12(18)15-5-3-2-4-9(15)11(16)17/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 55170532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).