(2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid

C18H19FN2O3S — CID 122116580

IUPAC(2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H19FN2O3S/c1-11-14(18(23)24)3-2-8-21(11)17(22)9-16-20-15(10-25-16)12-4-6-13(19)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,23,24)/t11-,14-/m1/s1
InChIKeyKHVFTSCTRAJEPV-BXUZGUMPSA-N
MW362.43 g/mol
LogP3.20
Rot. Bonds4

About (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 122116580) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID122116580
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H19FN2O3S/c1-11-14(18(23)24)3-2-8-21(11)17(22)9-16-20-15(10-25-16)12-4-6-13(19)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,23,24)/t11-,14-/m1/s1
InChIKeyKHVFTSCTRAJEPV-BXUZGUMPSA-N
XLogP3.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylic acid
CID 122124812
(2R,3R)-1-[2-(6-fluoro-1H-indol-3-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116474
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 126787102
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62124682
(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 120965088
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122058968
(2R,3R)-2-methyl-1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 122116283
(2S,3S)-1-(2-cyclobutyloxyacetyl)-2-methyl-N-[[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 177213892
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
CID 126771577
tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-[2-[(2S,3S)-2-methyl-3-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methylcarbamoyl]piperidin-1-yl]-2-oxoethoxy]ethyl]carbamate
CID 177213729
1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 112778383
1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 110675566

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid (CID 122116580) is (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)Cc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is KHVFTSCTRAJEPV-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-11-14(18(23)24)3-2-8-21(11)17(22)9-16-20-15(10-25-16)12-4-6-13(19)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,23,24)/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122116580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).