N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide

C18H22Cl2N2O2S — CID 68623803

IUPACN-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide
SMILESCOCCn1c(C)c(C(C)(C)C)s/c1=N/C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N2O2S/c1-11-15(18(2,3)4)25-17(22(11)9-10-24-5)21-16(23)12-7-6-8-13(19)14(12)20/h6-8H,9-10H2,1-5H3/b21-17+
InChIKeyZWDGEODQTGFQTM-HEHNFIMWSA-N
MW401.36 g/mol
LogP4.85
Rot. Bonds4

About N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide

N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide (PubChem CID 68623803) has the molecular formula C18H22Cl2N2O2S and a molecular weight of 401.36 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide
PubChem CID68623803
Molecular FormulaC18H22Cl2N2O2S
Molecular Weight401.36 g/mol
Exact Mass400.08
IUPAC NameN-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide
SMILESCOCCn1c(C)c(C(C)(C)C)s/c1=N/C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N2O2S/c1-11-15(18(2,3)4)25-17(22(11)9-10-24-5)21-16(23)12-7-6-8-13(19)14(12)20/h6-8H,9-10H2,1-5H3/b21-17+
InChIKeyZWDGEODQTGFQTM-HEHNFIMWSA-N
XLogP4.85
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide 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-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide
CID 68623178
N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,4-dichloro-5-fluorobenzamide
CID 59865846
N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide
CID 59865770
2-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41048157
2-[5-tert-butyl-3-(2-methoxyethyl)-1,3,4-thiadiazol-2-ylidene]-1-(2,3-dichlorophenyl)ethanone
CID 69189531
N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-chloro-5-fluorobenzamide
CID 59866029
2-chloro-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4146349
N-[5-acetyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-5-chloro-2-methoxybenzamide
CID 68623405
5-bromo-N-[4-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
CID 40886496
N-[4,5-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 43938664
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 4099388
2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41048204

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide?
The IUPAC name of N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide (CID 68623803) is N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide?
The canonical SMILES for N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide is COCCn1c(C)c(C(C)(C)C)s/c1=N/C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide?
The InChIKey is ZWDGEODQTGFQTM-HEHNFIMWSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2S/c1-11-15(18(2,3)4)25-17(22(11)9-10-24-5)21-16(23)12-7-6-8-13(19)14(12)20/h6-8H,9-10H2,1-5H3/b21-17+.
What are the key properties of N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide?
N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide has a molecular weight of 401.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide is sourced from PubChem (CID 68623803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).