2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C12H17N3O3S — CID 116696780

IUPAC2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCN(C(=O)c1nc(C(=O)O)cs1)C1CCNCC1
InChIInChI=1S/C12H17N3O3S/c1-2-15(8-3-5-13-6-4-8)11(16)10-14-9(7-19-10)12(17)18/h7-8,13H,2-6H2,1H3,(H,17,18)
InChIKeyVLUDXJVFEIHIED-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.06
Rot. Bonds4

About 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696780) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696780
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCN(C(=O)c1nc(C(=O)O)cs1)C1CCNCC1
InChIInChI=1S/C12H17N3O3S/c1-2-15(8-3-5-13-6-4-8)11(16)10-14-9(7-19-10)12(17)18/h7-8,13H,2-6H2,1H3,(H,17,18)
InChIKeyVLUDXJVFEIHIED-UHFFFAOYSA-N
XLogP1.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 65198571
2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697177
N-ethyl-2-methyl-N-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 65198740
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
N-ethyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide
CID 60805893
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 63299155
N-ethyl-2,6-dimethyl-N-piperidin-4-ylpyridine-3-carboxamide
CID 62828526
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 102634005
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
N-ethyl-2,6-dihydroxy-N-piperidin-4-ylbenzamide
CID 107688542
2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696934

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696780) is 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is CCN(C(=O)c1nc(C(=O)O)cs1)C1CCNCC1.
What is the InChIKey of 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VLUDXJVFEIHIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-15(8-3-5-13-6-4-8)11(16)10-14-9(7-19-10)12(17)18/h7-8,13H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).