2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C14H21N3O3S — CID 66372810

IUPAC2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCN(C(=O)NC(C)c2nc(C(=O)O)cs2)C(C)C1
InChIInChI=1S/C14H21N3O3S/c1-8-4-5-17(9(2)6-8)14(20)15-10(3)12-16-11(7-21-12)13(18)19/h7-10H,4-6H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyOVBVZHKGEZPDKS-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.73
Rot. Bonds3

About 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66372810) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66372810
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCN(C(=O)NC(C)c2nc(C(=O)O)cs2)C(C)C1
InChIInChI=1S/C14H21N3O3S/c1-8-4-5-17(9(2)6-8)14(20)15-10(3)12-16-11(7-21-12)13(18)19/h7-10H,4-6H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyOVBVZHKGEZPDKS-UHFFFAOYSA-N
XLogP2.73
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373887
2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
2-[1-[(4-methylcyclohexyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375442
(2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide
CID 99812562
2-[1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106257771
2-[1-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379039
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372954
2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66378842
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[3-(cyclopropylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379233
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 136582996

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66372810) is 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC1CCN(C(=O)NC(C)c2nc(C(=O)O)cs2)C(C)C1.
What is the InChIKey of 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OVBVZHKGEZPDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-4-5-17(9(2)6-8)14(20)15-10(3)12-16-11(7-21-12)13(18)19/h7-10H,4-6H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66372810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).