3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C18H18N2O4S — CID 4670224

IUPAC3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cc(OC)cc(C(=O)/N=c2\sc3cc(OC)ccc3n2C)c1
InChIInChI=1S/C18H18N2O4S/c1-20-15-6-5-12(22-2)10-16(15)25-18(20)19-17(21)11-7-13(23-3)9-14(8-11)24-4/h5-10H,1-4H3/b19-18-
InChIKeyLOZMZPXKWULKRP-HNENSFHCSA-N
MW358.42 g/mol
LogP3.01
Rot. Bonds4

About 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4670224) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID4670224
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cc(OC)cc(C(=O)/N=c2\sc3cc(OC)ccc3n2C)c1
InChIInChI=1S/C18H18N2O4S/c1-20-15-6-5-12(22-2)10-16(15)25-18(20)19-17(21)11-7-13(23-3)9-14(8-11)24-4/h5-10H,1-4H3/b19-18-
InChIKeyLOZMZPXKWULKRP-HNENSFHCSA-N
XLogP3.01
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 4666362
methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 5183743
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4564147
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 5197134
3-butoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3711055
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,5-dimethylpyrazole-3-carboxamide
CID 16952184
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 5051566
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 4281720
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide
CID 5051037
3-ethylsulfanyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41004977
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 3494041
4-(benzenesulfonamido)-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043626

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 4670224) is 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is COc1cc(OC)cc(C(=O)/N=c2\sc3cc(OC)ccc3n2C)c1.
What is the InChIKey of 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is LOZMZPXKWULKRP-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20-15-6-5-12(22-2)10-16(15)25-18(20)19-17(21)11-7-13(23-3)9-14(8-11)24-4/h5-10H,1-4H3/b19-18-.
What are the key properties of 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 358.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4670224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).