3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide

C19H17N3O4S2 — CID 3262536

IUPAC3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4S2/c1-9-20-11-5-6-12-17(16(11)27-9)28-19(21-12)22-18(23)10-7-13(24-2)15(26-4)14(8-10)25-3/h5-8H,1-4H3,(H,21,22,23)
InChIKeyYOEKDBGJPDJSPD-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.49
Rot. Bonds5

About 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide

3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide (PubChem CID 3262536) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
PubChem CID3262536
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4S2/c1-9-20-11-5-6-12-17(16(11)27-9)28-19(21-12)22-18(23)10-7-13(24-2)15(26-4)14(8-10)25-3/h5-8H,1-4H3,(H,21,22,23)
InChIKeyYOEKDBGJPDJSPD-UHFFFAOYSA-N
XLogP4.49
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide
CID 60148068
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
3,4,5-trimethoxy-N-(6-(morpholinosulfonyl)benzo[d]thiazol-2-yl)benzamide
CID 2017240
N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 2108827
N-(7-methyl[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3245690
N-(6-trifluoromethoxybenzothiazole-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27899321
N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 76853170
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 870942
3,4,5-trimethoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 1547871
N-1,3-benzothiazol-2-yl-2-[4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]acetamide
CID 2268273
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 2329160
N-(1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2387640

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide (CID 3262536) is 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is YOEKDBGJPDJSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-9-20-11-5-6-12-17(16(11)27-9)28-19(21-12)22-18(23)10-7-13(24-2)15(26-4)14(8-10)25-3/h5-8H,1-4H3,(H,21,22,23).
What are the key properties of 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?
3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 415.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3262536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).