N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide

C12H13ClN2O2S — CID 952889

IUPACN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCOc1cc2sc(NC(=O)C(C)C)nc2cc1Cl
InChIInChI=1S/C12H13ClN2O2S/c1-6(2)11(16)15-12-14-8-4-7(13)9(17-3)5-10(8)18-12/h4-6H,1-3H3,(H,14,15,16)
InChIKeyFIDJELYVKCIAIW-UHFFFAOYSA-N
MW284.77 g/mol
LogP3.55
Rot. Bonds3

About N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide (PubChem CID 952889) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
PubChem CID952889
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCOc1cc2sc(NC(=O)C(C)C)nc2cc1Cl
InChIInChI=1S/C12H13ClN2O2S/c1-6(2)11(16)15-12-14-8-4-7(13)9(17-3)5-10(8)18-12/h4-6H,1-3H3,(H,14,15,16)
InChIKeyFIDJELYVKCIAIW-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 953037
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
(E)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 40604034
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 3582023
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3332338
2-(4-butan-2-ylphenoxy)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 46742320
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluorobenzamide
CID 3909142
4-chloro-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 40614068
methyl 2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxylate
CID 4118650
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 39380248
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3161344

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide (CID 952889) is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide is COc1cc2sc(NC(=O)C(C)C)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The InChIKey is FIDJELYVKCIAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-6(2)11(16)15-12-14-8-4-7(13)9(17-3)5-10(8)18-12/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide?
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide has a molecular weight of 284.77 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 952889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).