N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide

C19H20ClN3O2S — CID 97257674

IUPACN'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CC=CCC1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C19H20ClN3O2S/c20-16-9-5-4-8-14(16)10-15-12-22-19(26-15)23-18(25)17(24)21-11-13-6-2-1-3-7-13/h1-2,4-5,8-9,12-13H,3,6-7,10-11H2,(H,21,24)(H,22,23,25)/t13-/m0/s1
InChIKeyOVFUZBMDRHVXDN-ZDUSSCGKSA-N
MW389.91 g/mol
LogP3.80
Rot. Bonds5

About N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide

N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide (PubChem CID 97257674) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide
PubChem CID97257674
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CC=CCC1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C19H20ClN3O2S/c20-16-9-5-4-8-14(16)10-15-12-22-19(26-15)23-18(25)17(24)21-11-13-6-2-1-3-7-13/h1-2,4-5,8-9,12-13H,3,6-7,10-11H2,(H,21,24)(H,22,23,25)/t13-/m0/s1
InChIKeyOVFUZBMDRHVXDN-ZDUSSCGKSA-N
XLogP3.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide 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-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 9171281
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]dibenzofuran-2-carboxamide
CID 18876171
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034757
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 126773295
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7177750
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4516531
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 58033163
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide
CID 60779121

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide?
The IUPAC name of N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide (CID 97257674) is N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide.
What is the SMILES notation for N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide?
The canonical SMILES for N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide is O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide?
The InChIKey is OVFUZBMDRHVXDN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c20-16-9-5-4-8-14(16)10-15-12-22-19(26-15)23-18(25)17(24)21-11-13-6-2-1-3-7-13/h1-2,4-5,8-9,12-13H,3,6-7,10-11H2,(H,21,24)(H,22,23,25)/t13-/m0/s1.
What are the key properties of N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide?
N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide has a molecular weight of 389.91 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide is sourced from PubChem (CID 97257674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).