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2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C15H14N4O2S2 — CID 16820226

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(CC(=O)Nc2nc3ccc(C)cc3s2)cs1
InChIInChI=1S/C15H14N4O2S2/c1-8-3-4-11-12(5-8)23-15(18-11)19-13(21)6-10-7-22-14(17-10)16-9(2)20/h3-5,7H,6H2,1-2H3,(H,16,17,20)(H,18,19,21)
InChIKeyBGSOSDAFOHKDOA-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.20
Rot. Bonds4

About 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16820226) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID16820226
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(CC(=O)Nc2nc3ccc(C)cc3s2)cs1
InChIInChI=1S/C15H14N4O2S2/c1-8-3-4-11-12(5-8)23-15(18-11)19-13(21)6-10-7-22-14(17-10)16-9(2)20/h3-5,7H,6H2,1-2H3,(H,16,17,20)(H,18,19,21)
InChIKeyBGSOSDAFOHKDOA-UHFFFAOYSA-N
XLogP3.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 16820226) is 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc(CC(=O)Nc2nc3ccc(C)cc3s2)cs1.
What is the InChIKey of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is BGSOSDAFOHKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-8-3-4-11-12(5-8)23-15(18-11)19-13(21)6-10-7-22-14(17-10)16-9(2)20/h3-5,7H,6H2,1-2H3,(H,16,17,20)(H,18,19,21).
What are the key properties of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 346.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16820226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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