N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

C15H13N3O2S2 — CID 30515096

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
InChIInChI=1S/C15H13N3O2S2/c1-9(19)16-10-4-5-12-13(7-10)22-15(17-12)18-14(20)8-11-3-2-6-21-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyHWQLVHSFMZNXKB-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.50
Rot. Bonds4

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 30515096) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID30515096
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
InChIInChI=1S/C15H13N3O2S2/c1-9(19)16-10-4-5-12-13(7-10)22-15(17-12)18-14(20)8-11-3-2-6-21-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyHWQLVHSFMZNXKB-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340187
N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 172755506
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55513472
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4281794
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24627882
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 71894065
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1-adamantyl)acetamide
CID 3981360
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7254203

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 30515096) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is CC(=O)Nc1ccc2nc(NC(=O)Cc3cccs3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is HWQLVHSFMZNXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-9(19)16-10-4-5-12-13(7-10)22-15(17-12)18-14(20)8-11-3-2-6-21-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 331.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 30515096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).