N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide

C19H19N3O2S — CID 46290872

IUPACN-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
SMILESCC(C)CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C19H19N3O2S/c1-12(2)10-17(23)20-14-8-9-15-16(11-14)25-19(21-15)22-18(24)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyIQYMUKSABVGAII-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.53
Rot. Bonds5

About N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide

N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46290872) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
PubChem CID46290872
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
SMILESCC(C)CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C19H19N3O2S/c1-12(2)10-17(23)20-14-8-9-15-16(11-14)25-19(21-15)22-18(24)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyIQYMUKSABVGAII-UHFFFAOYSA-N
XLogP4.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46291137
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 46290875
3-methyl-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]butanamide
CID 46328771
N-(2-ethynyl-1,3-benzothiazol-6-yl)-3-methylbutanamide
CID 130283691
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 20930895
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
CID 937136
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-[6-[(3,4,5-trimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325858
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide (CID 46290872) is N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide is CC(C)CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is IQYMUKSABVGAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12(2)10-17(23)20-14-8-9-15-16(11-14)25-19(21-15)22-18(24)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide?
N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 353.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46290872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).