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

C12H13N3O2S — CID 1160466

IUPACN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1cc(C)c2nc(NC(C)=O)sc2c1
InChIInChI=1S/C12H13N3O2S/c1-6-4-9(13-7(2)16)5-10-11(6)15-12(18-10)14-8(3)17/h4-5H,1-3H3,(H,13,16)(H,14,15,17)
InChIKeyCEGQEYMKIIRUKR-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.52
Rot. Bonds2

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

N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 1160466) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID1160466
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1cc(C)c2nc(NC(C)=O)sc2c1
InChIInChI=1S/C12H13N3O2S/c1-6-4-9(13-7(2)16)5-10-11(6)15-12(18-10)14-8(3)17/h4-5H,1-3H3,(H,13,16)(H,14,15,17)
InChIKeyCEGQEYMKIIRUKR-UHFFFAOYSA-N
XLogP2.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-Nitro-2-benzothiazolyl)acetamide
CID 731719
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
N-Naphtho[1,2-d]thiazol-2-yl-acetamide
CID 808687
N-(6-Aminobenzo[d]thiazol-2-yl)cyclohexanecarboxamide
CID 834590
Cyclohexanecarboxylic acid (2-acetylamino-4-methyl-benzothiazol-6-yl)-amide
CID 1160464
Benzothiazol-2-yl-o-tolyl-amine
CID 2360617
N-(6-Cyano-3h-1,3-Benzothiazol-2-Ylidene)ethanamide
CID 121225571
Acetamide, N-2-benzothiazolyl-
CID 350459
N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 731720
N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 836586
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 3284375
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 3491790

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide (CID 1160466) is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide is CC(=O)Nc1cc(C)c2nc(NC(C)=O)sc2c1.
What is the InChIKey of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is CEGQEYMKIIRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-6-4-9(13-7(2)16)5-10-11(6)15-12(18-10)14-8(3)17/h4-5H,1-3H3,(H,13,16)(H,14,15,17).
What are the key properties of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide?
N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 1160466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).