(2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid

C24H25N3O3S — CID 134282250

IUPAC(2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
SMILESCc1c(NC(=O)c2ncc(CN3CCCC[C@H]3C(=O)O)s2)cccc1-c1ccccc1
InChIInChI=1S/C24H25N3O3S/c1-16-19(17-8-3-2-4-9-17)10-7-11-20(16)26-22(28)23-25-14-18(31-23)15-27-13-6-5-12-21(27)24(29)30/h2-4,7-11,14,21H,5-6,12-13,15H2,1H3,(H,26,28)(H,29,30)/t21-/m0/s1
InChIKeyUBENHLQYILNMML-NRFANRHFSA-N
MW435.55 g/mol
LogP4.81
Rot. Bonds6

About (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid

(2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 134282250) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
PubChem CID134282250
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
SMILESCc1c(NC(=O)c2ncc(CN3CCCC[C@H]3C(=O)O)s2)cccc1-c1ccccc1
InChIInChI=1S/C24H25N3O3S/c1-16-19(17-8-3-2-4-9-17)10-7-11-20(16)26-22(28)23-25-14-18(31-23)15-27-13-6-5-12-21(27)24(29)30/h2-4,7-11,14,21H,5-6,12-13,15H2,1H3,(H,26,28)(H,29,30)/t21-/m0/s1
InChIKeyUBENHLQYILNMML-NRFANRHFSA-N
XLogP4.81
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
CID 164609187
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 164610990
(2S)-2-[[5-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]amino]-3-methylbutanoic acid
CID 73345987
(2S)-2-[[5-[4-[(4,4-difluorocyclohexanecarbonyl)amino]phenyl]-1,3-thiazole-2-carbonyl]amino]-3-methylbutanoic acid
CID 73355079
(2S)-2-[[5-[4-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carbonyl]amino]-3-methylbutanoic acid
CID 73356639
6-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylanilino]-6-oxo-4-(1,3-thiazol-2-yl)hexanoic acid
CID 162644891
[5-[(2-Hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 164610067
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 164610615
[5-[[(4-Hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 164620462
[5-[(Oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 164621739
(2R)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 164619263
2-[2-[(2-methyl-3-phenylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetic acid
CID 132229994

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid (CID 134282250) is (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid is Cc1c(NC(=O)c2ncc(CN3CCCC[C@H]3C(=O)O)s2)cccc1-c1ccccc1.
What is the InChIKey of (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is UBENHLQYILNMML-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16-19(17-8-3-2-4-9-17)10-7-11-20(16)26-22(28)23-25-14-18(31-23)15-27-13-6-5-12-21(27)24(29)30/h2-4,7-11,14,21H,5-6,12-13,15H2,1H3,(H,26,28)(H,29,30)/t21-/m0/s1.
What are the key properties of (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid?
(2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 435.55 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-[(2-methyl-3-phenylphenyl)carbamoyl]-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 134282250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).