2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C12H17N3O3S — CID 66374029

IUPAC2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNC(=O)C2CCCCN2)n1
InChIInChI=1S/C12H17N3O3S/c16-11(8-3-1-2-5-13-8)14-6-4-10-15-9(7-19-10)12(17)18/h7-8,13H,1-6H2,(H,14,16)(H,17,18)
InChIKeyLEDCTVYYRHHXAO-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.64
Rot. Bonds5

About 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374029) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374029
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNC(=O)C2CCCCN2)n1
InChIInChI=1S/C12H17N3O3S/c16-11(8-3-1-2-5-13-8)14-6-4-10-15-9(7-19-10)12(17)18/h7-8,13H,1-6H2,(H,14,16)(H,17,18)
InChIKeyLEDCTVYYRHHXAO-UHFFFAOYSA-N
XLogP0.64
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119335999
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
2-[1-[[(2S)-piperidine-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104914206
methyl 2-[(pyrrolidine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110461420
(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119869426
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
2-[2-(cyclobutylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374104
2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374274
2-[2-[2-(azetidin-3-yl)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 116678321
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 115560786
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374029) is 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCNC(=O)C2CCCCN2)n1.
What is the InChIKey of 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LEDCTVYYRHHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-11(8-3-1-2-5-13-8)14-6-4-10-15-9(7-19-10)12(17)18/h7-8,13H,1-6H2,(H,14,16)(H,17,18).
What are the key properties of 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).