4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

C18H18N2O3S — CID 2150837

IUPAC4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1ccc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-11-5-10-14(23-4)15-16(11)24-18(20(15)2)19-17(21)12-6-8-13(22-3)9-7-12/h5-10H,1-4H3/b19-18-
InChIKeyROFNJSNSRYEUCK-HNENSFHCSA-N
MW342.42 g/mol
LogP3.31
Rot. Bonds3

About 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2150837) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2150837
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1ccc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-11-5-10-14(23-4)15-16(11)24-18(20(15)2)19-17(21)12-6-8-13(22-3)9-7-12/h5-10H,1-4H3/b19-18-
InChIKeyROFNJSNSRYEUCK-HNENSFHCSA-N
XLogP3.31
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2150837) is 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is COc1ccc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)cc1.
What is the InChIKey of 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ROFNJSNSRYEUCK-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-5-10-14(23-4)15-16(11)24-18(20(15)2)19-17(21)12-6-8-13(22-3)9-7-12/h5-10H,1-4H3/b19-18-.
What are the key properties of 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 342.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2150837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).