N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide

C17H23ClN2O2S — CID 24963528

IUPACN-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide
SMILESCCCCN1CC(C)(C)S/C1=N\C(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C17H23ClN2O2S/c1-5-6-9-20-11-17(2,3)23-16(20)19-15(21)13-8-7-12(18)10-14(13)22-4/h7-8,10H,5-6,9,11H2,1-4H3/b19-16-
InChIKeyWKVSYWJDUJUCGY-MNDPQUGUSA-N
MW354.90 g/mol
LogP4.47
Rot. Bonds5

About N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide

N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide (PubChem CID 24963528) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide
PubChem CID24963528
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide
SMILESCCCCN1CC(C)(C)S/C1=N\C(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C17H23ClN2O2S/c1-5-6-9-20-11-17(2,3)23-16(20)19-15(21)13-8-7-12(18)10-14(13)22-4/h7-8,10H,5-6,9,11H2,1-4H3/b19-16-
InChIKeyWKVSYWJDUJUCGY-MNDPQUGUSA-N
XLogP4.47
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide 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

N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
CID 24963879
N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
CID 67280856
5-chloro-N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]-2-(2,2,2-trifluoroethoxy)benzamide
CID 24968848
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173566
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134090
1-(4-chloro-2-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144862
4-chloro-2-methoxybenzamide
CID 19741766
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688
methyl 2-butoxy-4-chlorobenzoate
CID 78846722

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide?
The IUPAC name of N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide (CID 24963528) is N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide is CCCCN1CC(C)(C)S/C1=N\C(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide?
The InChIKey is WKVSYWJDUJUCGY-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c1-5-6-9-20-11-17(2,3)23-16(20)19-15(21)13-8-7-12(18)10-14(13)22-4/h7-8,10H,5-6,9,11H2,1-4H3/b19-16-.
What are the key properties of N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide?
N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide has a molecular weight of 354.90 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 24963528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).