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

C22H15N3O2S2 — CID 4058203

IUPACN-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-phenoxybenzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4ccccc4Oc4ccccc4)sc32)s1
InChIInChI=1S/C22H15N3O2S2/c1-13-23-19-18(28-13)12-11-16-20(19)29-22(24-16)25-21(26)15-9-5-6-10-17(15)27-14-7-3-2-4-8-14/h2-12H,1H3,(H,24,25,26)
InChIKeyBSVIKARWIPRFNI-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)-2-phenoxybenzamide

N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-phenoxybenzamide (PubChem CID 4058203) 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)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-phenoxybenzamide
PubChem CID4058203
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)-2-phenoxybenzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4ccccc4Oc4ccccc4)sc32)s1
InChIInChI=1S/C22H15N3O2S2/c1-13-23-19-18(28-13)12-11-16-20(19)29-22(24-16)25-21(26)15-9-5-6-10-17(15)27-14-7-3-2-4-8-14/h2-12H,1H3,(H,24,25,26)
InChIKeyBSVIKARWIPRFNI-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)-2-phenoxybenzamide?
The IUPAC name of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-phenoxybenzamide (CID 4058203) is N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-phenoxybenzamide.
What is the SMILES notation for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-phenoxybenzamide?
The canonical SMILES for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-phenoxybenzamide is Cc1nc2c(ccc3nc(NC(=O)c4ccccc4Oc4ccccc4)sc32)s1.
What is the InChIKey of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-phenoxybenzamide?
The InChIKey is BSVIKARWIPRFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S2/c1-13-23-19-18(28-13)12-11-16-20(19)29-22(24-16)25-21(26)15-9-5-6-10-17(15)27-14-7-3-2-4-8-14/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)-2-phenoxybenzamide?
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-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)-2-phenoxybenzamide is sourced from PubChem (CID 4058203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).