N-(5-methyl-2,1-benzothiazol-3-yl)propanamide

C11H12N2OS — CID 13497335

IUPACN-(5-methyl-2,1-benzothiazol-3-yl)propanamide
SMILESCCC(=O)Nc1snc2ccc(C)cc12
InChIInChI=1S/C11H12N2OS/c1-3-10(14)12-11-8-6-7(2)4-5-9(8)13-15-11/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyVKNVUGUHYCXCOV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.95
Rot. Bonds2

About N-(5-methyl-2,1-benzothiazol-3-yl)propanamide

N-(5-methyl-2,1-benzothiazol-3-yl)propanamide (PubChem CID 13497335) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(5-methyl-2,1-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-2,1-benzothiazol-3-yl)propanamide
PubChem CID13497335
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(5-methyl-2,1-benzothiazol-3-yl)propanamide
SMILESCCC(=O)Nc1snc2ccc(C)cc12
InChIInChI=1S/C11H12N2OS/c1-3-10(14)12-11-8-6-7(2)4-5-9(8)13-15-11/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyVKNVUGUHYCXCOV-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2,3-dimethylquinoxalin-6-yl)propanamide
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N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
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3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide
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3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide
CID 134103425
N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide
CID 71864121
2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide
CID 14762284
N-(2-isocyanato-4-methylphenyl)propanamide
CID 169352363
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
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CID 21050828

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,1-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(5-methyl-2,1-benzothiazol-3-yl)propanamide (CID 13497335) is N-(5-methyl-2,1-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-2,1-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-2,1-benzothiazol-3-yl)propanamide is CCC(=O)Nc1snc2ccc(C)cc12.
What is the InChIKey of N-(5-methyl-2,1-benzothiazol-3-yl)propanamide?
The InChIKey is VKNVUGUHYCXCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-10(14)12-11-8-6-7(2)4-5-9(8)13-15-11/h4-6H,3H2,1-2H3,(H,12,14).
What are the key properties of N-(5-methyl-2,1-benzothiazol-3-yl)propanamide?
N-(5-methyl-2,1-benzothiazol-3-yl)propanamide has a molecular weight of 220.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,1-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 13497335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).