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

C17H25N3O4S — CID 122116412

IUPAC(2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C17H25N3O4S/c1-10-12(14(22)23)6-5-7-20(10)13(21)8-11-9-25-16(18-11)19-15(24)17(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,22,23)(H,18,19,24)/t10-,12-/m1/s1
InChIKeyCJHAUSDDPWRFRE-ZYHUDNBSSA-N
MW367.47 g/mol
LogP2.38
Rot. Bonds4

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

(2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 122116412) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID122116412
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name(2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C17H25N3O4S/c1-10-12(14(22)23)6-5-7-20(10)13(21)8-11-9-25-16(18-11)19-15(24)17(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,22,23)(H,18,19,24)/t10-,12-/m1/s1
InChIKeyCJHAUSDDPWRFRE-ZYHUDNBSSA-N
XLogP2.38
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-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

2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
CID 41227592
N-[4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119374849
(2R,3R)-2-methyl-1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 122116283
N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
2-[2-(2,2-difluoroethylamino)-1,3-thiazol-4-yl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 136558829
1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 23968193
N-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119416389
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160012
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227760
2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119426693
1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922318
1-[2-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 23740363

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid (CID 122116412) is (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)Cc1csc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is CJHAUSDDPWRFRE-ZYHUDNBSSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-10-12(14(22)23)6-5-7-20(10)13(21)8-11-9-25-16(18-11)19-15(24)17(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,22,23)(H,18,19,24)/t10-,12-/m1/s1.
What are the key properties of (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 367.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122116412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).