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

C11H15N3O3S — CID 114278560

IUPAC3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)Nc2nccs2)CCC1C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-7-6-14(4-2-8(7)9(15)16)11(17)13-10-12-3-5-18-10/h3,5,7-8H,2,4,6H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyHHKCZPZJRKBACF-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.72
Rot. Bonds2

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

3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 114278560) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID114278560
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)Nc2nccs2)CCC1C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-7-6-14(4-2-8(7)9(15)16)11(17)13-10-12-3-5-18-10/h3,5,7-8H,2,4,6H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyHHKCZPZJRKBACF-UHFFFAOYSA-N
XLogP1.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946395
3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62217199
2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106743843
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067
N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127561429
3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 166267057
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
(1S,6S)-6-(1,3-thiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 842623
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63138087
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane
CID 91342895

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid (CID 114278560) is 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid is CC1CN(C(=O)Nc2nccs2)CCC1C(=O)O.
What is the InChIKey of 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is HHKCZPZJRKBACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-6-14(4-2-8(7)9(15)16)11(17)13-10-12-3-5-18-10/h3,5,7-8H,2,4,6H2,1H3,(H,15,16)(H,12,13,17).
What are the key properties of 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid?
3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 114278560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).