N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide

C18H18N2O3S — CID 5225520

IUPACN-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)/N=c2\sc3cccc(C)c3n2C)c1
InChIInChI=1S/C18H18N2O3S/c1-11-6-5-7-15-16(11)20(2)18(24-15)19-17(21)12-8-13(22-3)10-14(9-12)23-4/h5-10H,1-4H3/b19-18-
InChIKeyGJNQLYXEMKNURR-HNENSFHCSA-N
MW342.42 g/mol
LogP3.31
Rot. Bonds3

About N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide

N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide (PubChem CID 5225520) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
PubChem CID5225520
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)/N=c2\sc3cccc(C)c3n2C)c1
InChIInChI=1S/C18H18N2O3S/c1-11-6-5-7-15-16(11)20(2)18(24-15)19-17(21)12-8-13(22-3)10-14(9-12)23-4/h5-10H,1-4H3/b19-18-
InChIKeyGJNQLYXEMKNURR-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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Related Compounds

N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
ethyl 2-[2-(3,5-dimethoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate
CID 7153437
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 4058561
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)acetamide
CID 40700280
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 2105025
3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4670224
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 2151051
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515
3-methoxy-N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151285
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4051036
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953844
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 4666362

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide (CID 5225520) is N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)/N=c2\sc3cccc(C)c3n2C)c1.
What is the InChIKey of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
The InChIKey is GJNQLYXEMKNURR-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-6-5-7-15-16(11)20(2)18(24-15)19-17(21)12-8-13(22-3)10-14(9-12)23-4/h5-10H,1-4H3/b19-18-.
What are the key properties of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide?
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide 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 N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide is sourced from PubChem (CID 5225520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).