3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide

C21H22N2O4S — CID 1021951

IUPAC3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(OC)c(OC)c3)n2C)cc1
InChIInChI=1S/C21H22N2O4S/c1-13-19(14-6-9-16(25-3)10-7-14)23(2)21(28-13)22-20(24)15-8-11-17(26-4)18(12-15)27-5/h6-12H,1-5H3/b22-21-
InChIKeyHYLCTNDAZFHFNU-DQRAZIAOSA-N
MW398.48 g/mol
LogP3.83
Rot. Bonds5

About 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide

3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide (PubChem CID 1021951) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
PubChem CID1021951
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(OC)c(OC)c3)n2C)cc1
InChIInChI=1S/C21H22N2O4S/c1-13-19(14-6-9-16(25-3)10-7-14)23(2)21(28-13)22-20(24)15-8-11-17(26-4)18(12-15)27-5/h6-12H,1-5H3/b22-21-
InChIKeyHYLCTNDAZFHFNU-DQRAZIAOSA-N
XLogP3.83
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 3335593
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide
CID 126200149
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 1021952
2,4-dichloro-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126209248
4-butoxy-N-[4-(4-chlorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126211698
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 126203694
4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine
CID 31060825
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide
CID 126203998
5-chloro-N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 126205417

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide (CID 1021951) is 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide is COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(OC)c(OC)c3)n2C)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is HYLCTNDAZFHFNU-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-13-19(14-6-9-16(25-3)10-7-14)23(2)21(28-13)22-20(24)15-8-11-17(26-4)18(12-15)27-5/h6-12H,1-5H3/b22-21-.
What are the key properties of 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide?
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 1021951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).