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

C17H13N3O2S2 — CID 4582891

IUPAC4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1
InChIInChI=1S/C17H13N3O2S2/c1-9-18-12-7-8-13-15(14(12)23-9)24-17(19-13)20-16(21)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,20,21)
InChIKeyGOOSOUULQONCOU-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.48
Rot. Bonds3

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

4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide (PubChem CID 4582891) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
PubChem CID4582891
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC Name4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1
InChIInChI=1S/C17H13N3O2S2/c1-9-18-12-7-8-13-15(14(12)23-9)24-17(19-13)20-16(21)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,20,21)
InChIKeyGOOSOUULQONCOU-UHFFFAOYSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2596988
N-(7-methyl[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3245690

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide (CID 4582891) is 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1.
What is the InChIKey of 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is GOOSOUULQONCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c1-9-18-12-7-8-13-15(14(12)23-9)24-17(19-13)20-16(21)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?
4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4582891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).