4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide

C20H21N3O2S — CID 46328836

IUPAC4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide
SMILESCCCCC(=O)Nc1ccc2sc(NC(=O)c3ccc(C)cc3)nc2c1
InChIInChI=1S/C20H21N3O2S/c1-3-4-5-18(24)21-15-10-11-17-16(12-15)22-20(26-17)23-19(25)14-8-6-13(2)7-9-14/h6-12H,3-5H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyBJHSKMOORCBDJE-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.99
Rot. Bonds6

About 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide

4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46328836) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide
PubChem CID46328836
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide
SMILESCCCCC(=O)Nc1ccc2sc(NC(=O)c3ccc(C)cc3)nc2c1
InChIInChI=1S/C20H21N3O2S/c1-3-4-5-18(24)21-15-10-11-17-16(12-15)22-20(26-17)23-19(25)14-8-6-13(2)7-9-14/h6-12H,3-5H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyBJHSKMOORCBDJE-UHFFFAOYSA-N
XLogP4.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(butanoylamino)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46328837
4-methyl-N-[5-[[4-(propanoylamino)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46379311
2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
CID 46328829
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
CID 146057643
N-(6-nitro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide
CID 2955168
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379293
ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 17256973
N-(4-methylphenyl)pentanamide
CID 3662375
N-(5-nitro-1,3-benzothiazol-2-yl)pentanamide
CID 16850497
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide (CID 46328836) is 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide is CCCCC(=O)Nc1ccc2sc(NC(=O)c3ccc(C)cc3)nc2c1.
What is the InChIKey of 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is BJHSKMOORCBDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-4-5-18(24)21-15-10-11-17-16(12-15)22-20(26-17)23-19(25)14-8-6-13(2)7-9-14/h6-12H,3-5H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide?
4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46328836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).