(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid

C13H18N2O3S — CID 99638878

IUPAC(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)cs1
InChIInChI=1S/C13H18N2O3S/c1-8(2)11-14-10(7-19-11)12(16)15-5-3-4-9(6-15)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyZGNCIYOLXQLDHM-SECBINFHSA-N
MW282.37 g/mol
LogP2.20
Rot. Bonds3

About (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 99638878) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID99638878
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)cs1
InChIInChI=1S/C13H18N2O3S/c1-8(2)11-14-10(7-19-11)12(16)15-5-3-4-9(6-15)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyZGNCIYOLXQLDHM-SECBINFHSA-N
XLogP2.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167775
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
[3-(methylaminomethyl)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119397327
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072
1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355020
1-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110694205
(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 114037544
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 110474094
1-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167150

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid (CID 99638878) is (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid is CC(C)c1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)cs1.
What is the InChIKey of (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ZGNCIYOLXQLDHM-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8(2)11-14-10(7-19-11)12(16)15-5-3-4-9(6-15)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 99638878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).