N-benzo[g][1,3]benzothiazol-2-ylbutanamide

C15H14N2OS — CID 5054800

IUPACN-benzo[g][1,3]benzothiazol-2-ylbutanamide
SMILESCCCC(=O)Nc1nc2ccc3ccccc3c2s1
InChIInChI=1S/C15H14N2OS/c1-2-5-13(18)17-15-16-12-9-8-10-6-3-4-7-11(10)14(12)19-15/h3-4,6-9H,2,5H2,1H3,(H,16,17,18)
InChIKeyCOVPEXLNFTWEGT-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.19
Rot. Bonds3

About N-benzo[g][1,3]benzothiazol-2-ylbutanamide

N-benzo[g][1,3]benzothiazol-2-ylbutanamide (PubChem CID 5054800) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-ylbutanamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-ylbutanamide
PubChem CID5054800
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-benzo[g][1,3]benzothiazol-2-ylbutanamide
SMILESCCCC(=O)Nc1nc2ccc3ccccc3c2s1
InChIInChI=1S/C15H14N2OS/c1-2-5-13(18)17-15-16-12-9-8-10-6-3-4-7-11(10)14(12)19-15/h3-4,6-9H,2,5H2,1H3,(H,16,17,18)
InChIKeyCOVPEXLNFTWEGT-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzo[g][1,3]benzothiazol-2-yl-3-(4-methylphenyl)sulfanylpropanamide
CID 8609498
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
CID 171976934
N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
CID 7565732
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
CID 4083468
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide
CID 5169785
2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 15754636
N-[6-[(2-chloroacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 141458638
N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289824
N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
CID 40959415
N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289848

Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-ylbutanamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-ylbutanamide (CID 5054800) is N-benzo[g][1,3]benzothiazol-2-ylbutanamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-ylbutanamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-ylbutanamide is CCCC(=O)Nc1nc2ccc3ccccc3c2s1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-ylbutanamide?
The InChIKey is COVPEXLNFTWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-5-13(18)17-15-16-12-9-8-10-6-3-4-7-11(10)14(12)19-15/h3-4,6-9H,2,5H2,1H3,(H,16,17,18).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-ylbutanamide?
N-benzo[g][1,3]benzothiazol-2-ylbutanamide has a molecular weight of 270.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-ylbutanamide is sourced from PubChem (CID 5054800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).