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

C13H15N3O2S — CID 46290994

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)C(C)C)cc2s1
InChIInChI=1S/C13H15N3O2S/c1-7(2)12(18)15-9-4-5-10-11(6-9)19-13(16-10)14-8(3)17/h4-7H,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyIBABECNBRFQMEI-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.85
Rot. Bonds3

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

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide (PubChem CID 46290994) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
PubChem CID46290994
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)C(C)C)cc2s1
InChIInChI=1S/C13H15N3O2S/c1-7(2)12(18)15-9-4-5-10-11(6-9)19-13(16-10)14-8(3)17/h4-7H,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyIBABECNBRFQMEI-UHFFFAOYSA-N
XLogP2.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-amino-3-methylbutanamide;hydrochloride
CID 119277664
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325788
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 2215184
methyl 2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxylate
CID 4118650
2-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247596
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide (CID 46290994) is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide is CC(=O)Nc1nc2ccc(NC(=O)C(C)C)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The InChIKey is IBABECNBRFQMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7(2)12(18)15-9-4-5-10-11(6-9)19-13(16-10)14-8(3)17/h4-7H,1-3H3,(H,15,18)(H,14,16,17).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide is sourced from PubChem (CID 46290994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).