3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C19H20N2O3S — CID 3474147

IUPAC3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1ccc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)cc1OC
InChIInChI=1S/C19H20N2O3S/c1-11-6-9-16-17(12(11)2)21(3)19(25-16)20-18(22)13-7-8-14(23-4)15(10-13)24-5/h6-10H,1-5H3/b20-19-
InChIKeyONGJGNLYZPGBAQ-VXPUYCOJSA-N
MW356.45 g/mol
LogP3.61
Rot. Bonds3

About 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 3474147) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID3474147
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1ccc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)cc1OC
InChIInChI=1S/C19H20N2O3S/c1-11-6-9-16-17(12(11)2)21(3)19(25-16)20-18(22)13-7-8-14(23-4)15(10-13)24-5/h6-10H,1-5H3/b20-19-
InChIKeyONGJGNLYZPGBAQ-VXPUYCOJSA-N
XLogP3.61
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16848905
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 2151078
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553228
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
N-[5-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 41202679
N-[4,5-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 40886481
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16879982
4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2150824
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 1021951
N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 40697688
3,4-diethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980184

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 3474147) is 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is COc1ccc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ONGJGNLYZPGBAQ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-6-9-16-17(12(11)2)21(3)19(25-16)20-18(22)13-7-8-14(23-4)15(10-13)24-5/h6-10H,1-5H3/b20-19-.
What are the key properties of 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 356.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 3474147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).