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

C22H15N3O2S2 — CID 3649987

IUPACN-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4cccc(Oc5ccccc5)c4)sc32)s1
InChIInChI=1S/C22H15N3O2S2/c1-13-23-19-18(28-13)11-10-17-20(19)29-22(24-17)25-21(26)14-6-5-9-16(12-14)27-15-7-3-2-4-8-15/h2-12H,1H3,(H,24,25,26)
InChIKeySYFQMBINJRENLV-UHFFFAOYSA-N
MW417.52 g/mol
LogP6.26
Rot. Bonds4

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

N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide (PubChem CID 3649987) has the molecular formula C22H15N3O2S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide
PubChem CID3649987
Molecular FormulaC22H15N3O2S2
Molecular Weight417.52 g/mol
Exact Mass417.06
IUPAC NameN-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4cccc(Oc5ccccc5)c4)sc32)s1
InChIInChI=1S/C22H15N3O2S2/c1-13-23-19-18(28-13)11-10-17-20(19)29-22(24-17)25-21(26)14-6-5-9-16(12-14)27-15-7-3-2-4-8-15/h2-12H,1H3,(H,24,25,26)
InChIKeySYFQMBINJRENLV-UHFFFAOYSA-N
XLogP6.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide?
The IUPAC name of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide (CID 3649987) is N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide is Cc1nc2c(ccc3nc(NC(=O)c4cccc(Oc5ccccc5)c4)sc32)s1.
What is the InChIKey of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide?
The InChIKey is SYFQMBINJRENLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S2/c1-13-23-19-18(28-13)11-10-17-20(19)29-22(24-17)25-21(26)14-6-5-9-16(12-14)27-15-7-3-2-4-8-15/h2-12H,1H3,(H,24,25,26).
What are the key properties of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide?
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide has a molecular weight of 417.52 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-phenoxybenzamide is sourced from PubChem (CID 3649987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).