2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide

C13H17N3O3S2 — CID 61367807

IUPAC2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2s1
InChIInChI=1S/C13H17N3O3S2/c1-8(2)16(3)12(17)7-21(18,19)13-15-10-5-4-9(14)6-11(10)20-13/h4-6,8H,7,14H2,1-3H3
InChIKeyLKEODVDXMXUWTJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.52
Rot. Bonds4

About 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide

2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 61367807) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
PubChem CID61367807
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2s1
InChIInChI=1S/C13H17N3O3S2/c1-8(2)16(3)12(17)7-21(18,19)13-15-10-5-4-9(14)6-11(10)20-13/h4-6,8H,7,14H2,1-3H3
InChIKeyLKEODVDXMXUWTJ-UHFFFAOYSA-N
XLogP1.52
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61367241
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61369726
2-[2-(diethylamino)ethylsulfonyl]-1,3-benzothiazol-6-amine
CID 61369330
2-(3-ethoxypropylsulfonyl)-1,3-benzothiazol-6-amine
CID 65180674
2-[(4-methylphenyl)methylsulfonyl]-1,3-benzothiazol-6-amine
CID 61367237
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methyl-N-propan-2-ylacetamide
CID 81206794
2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine
CID 61369334
2-(4,4,4-trifluorobutylsulfonyl)-1,3-benzothiazol-6-amine
CID 115517934
4-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-2,2-dimethylbutanenitrile
CID 65251846
2-[2-(3-methoxypropoxy)ethylsulfonyl]-1,3-benzothiazol-6-amine
CID 103182198
2-(oxolan-2-ylmethylsulfonyl)-1,3-benzothiazol-6-amine
CID 55090459
4-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]benzoic acid
CID 22766695

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide (CID 61367807) is 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is LKEODVDXMXUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-8(2)16(3)12(17)7-21(18,19)13-15-10-5-4-9(14)6-11(10)20-13/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 327.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 61367807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).