N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide

C13H17N3O2S — CID 131932481

IUPACN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
SMILESCc1cc(NC(=O)COC(C)C)cc2sc(N)nc12
InChIInChI=1S/C13H17N3O2S/c1-7(2)18-6-11(17)15-9-4-8(3)12-10(5-9)19-13(14)16-12/h4-5,7H,6H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyRNVYCILEFFXNMX-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.55
Rot. Bonds4

About N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide (PubChem CID 131932481) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
PubChem CID131932481
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
SMILESCc1cc(NC(=O)COC(C)C)cc2sc(N)nc12
InChIInChI=1S/C13H17N3O2S/c1-7(2)18-6-11(17)15-9-4-8(3)12-10(5-9)19-13(14)16-12/h4-5,7H,6H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyRNVYCILEFFXNMX-UHFFFAOYSA-N
XLogP2.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide
CID 131920215
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 91680729
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 91680418
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 131891713
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131925545
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91680781
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 91680783
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680806
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
CID 115949180
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide
CID 91680334

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide (CID 131932481) is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide is Cc1cc(NC(=O)COC(C)C)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide?
The InChIKey is RNVYCILEFFXNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7(2)18-6-11(17)15-9-4-8(3)12-10(5-9)19-13(14)16-12/h4-5,7H,6H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide?
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide has a molecular weight of 279.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 131932481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).