3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

C21H15N3O2S2 — CID 4186162

IUPAC3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nc2ccc3sc(C)nc3c2s1
InChIInChI=1S/C21H15N3O2S2/c1-11-22-18-17(27-11)8-7-15-19(18)28-21(23-15)24-20(25)14-9-12-5-3-4-6-13(12)10-16(14)26-2/h3-10H,1-2H3,(H,23,24,25)
InChIKeyAPUBBCCSCZJGFO-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.63
Rot. Bonds3

About 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 4186162) has the molecular formula C21H15N3O2S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID4186162
Molecular FormulaC21H15N3O2S2
Molecular Weight405.50 g/mol
Exact Mass405.06
IUPAC Name3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nc2ccc3sc(C)nc3c2s1
InChIInChI=1S/C21H15N3O2S2/c1-11-22-18-17(27-11)8-7-15-19(18)28-21(23-15)24-20(25)14-9-12-5-3-4-6-13(12)10-16(14)26-2/h3-10H,1-2H3,(H,23,24,25)
InChIKeyAPUBBCCSCZJGFO-UHFFFAOYSA-N
XLogP5.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (CID 4186162) is 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1nc2ccc3sc(C)nc3c2s1.
What is the InChIKey of 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is APUBBCCSCZJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S2/c1-11-22-18-17(27-11)8-7-15-19(18)28-21(23-15)24-20(25)14-9-12-5-3-4-6-13(12)10-16(14)26-2/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 4186162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).