(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid

C15H16N2O4S — CID 119174167

IUPAC(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H16N2O4S/c1-9-12(16-13(22-9)11-5-3-7-21-11)14(18)17-6-2-4-10(8-17)15(19)20/h3,5,7,10H,2,4,6,8H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyLYESHZPZYFGGDD-JTQLQIEISA-N
MW320.37 g/mol
LogP2.65
Rot. Bonds3

About (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 119174167) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID119174167
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H16N2O4S/c1-9-12(16-13(22-9)11-5-3-7-21-11)14(18)17-6-2-4-10(8-17)15(19)20/h3,5,7,10H,2,4,6,8H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyLYESHZPZYFGGDD-JTQLQIEISA-N
XLogP2.65
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167777
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900533
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417508
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577581
2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39462105
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119539568
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 134022945
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 30827996
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874467
(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 99718288
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 99633825

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid (CID 119174167) is (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid is Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is LYESHZPZYFGGDD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-12(16-13(22-9)11-5-3-7-21-11)14(18)17-6-2-4-10(8-17)15(19)20/h3,5,7,10H,2,4,6,8H2,1H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119174167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).