methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate

C24H26ClN5O4S — CID 3845769

IUPACmethyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
SMILESCOC(=O)C(Cc1cnc[nH]1)NC(=O)c1csc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C24H26ClN5O4S/c1-34-24(33)19(11-17-12-26-14-27-17)28-22(32)20-13-35-23(29-20)15-6-8-30(9-7-15)21(31)10-16-4-2-3-5-18(16)25/h2-5,12-15,19H,6-11H2,1H3,(H,26,27)(H,28,32)
InChIKeyNLOUSVUDOJTKKY-UHFFFAOYSA-N
MW516.02 g/mol
LogP2.98
Rot. Bonds8

About methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate

methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate (PubChem CID 3845769) has the molecular formula C24H26ClN5O4S and a molecular weight of 516.02 g/mol. Its IUPAC name is methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
PubChem CID3845769
Molecular FormulaC24H26ClN5O4S
Molecular Weight516.02 g/mol
Exact Mass515.14
IUPAC Namemethyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
SMILESCOC(=O)C(Cc1cnc[nH]1)NC(=O)c1csc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C24H26ClN5O4S/c1-34-24(33)19(11-17-12-26-14-27-17)28-22(32)20-13-35-23(29-20)15-6-8-30(9-7-15)21(31)10-16-4-2-3-5-18(16)25/h2-5,12-15,19H,6-11H2,1H3,(H,26,27)(H,28,32)
InChIKeyNLOUSVUDOJTKKY-UHFFFAOYSA-N
XLogP2.98
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.02
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate 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

methyl 2-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 3338980
methyl 2-[[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 4678083
N-[[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3468106
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3254871
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-[2-(2-ethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 4982776
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 3682252
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 4657597
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)-1,3-thiazole-4-carboxamide
CID 3449936
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 4992401
methyl (2S)-2-[(5-chloropyridine-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 103874668
ethyl 3-phenyl-2-[[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 3833034
2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3492288

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate (CID 3845769) is methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate is COC(=O)C(Cc1cnc[nH]1)NC(=O)c1csc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1.
What is the InChIKey of methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is NLOUSVUDOJTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4S/c1-34-24(33)19(11-17-12-26-14-27-17)28-22(32)20-13-35-23(29-20)15-6-8-30(9-7-15)21(31)10-16-4-2-3-5-18(16)25/h2-5,12-15,19H,6-11H2,1H3,(H,26,27)(H,28,32).
What are the key properties of methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate?
methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 516.02 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 3845769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).