N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C19H18N4O2S — CID 16592754

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCn3c(=O)n(C)c4ccccc43)cc2s1
InChIInChI=1S/C19H18N4O2S/c1-12-20-14-8-7-13(11-17(14)26-12)21-18(24)9-10-23-16-6-4-3-5-15(16)22(2)19(23)25/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyGDGVGUMHQWAFFH-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.29
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 16592754) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID16592754
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCn3c(=O)n(C)c4ccccc43)cc2s1
InChIInChI=1S/C19H18N4O2S/c1-12-20-14-8-7-13(11-17(14)26-12)21-18(24)9-10-23-16-6-4-3-5-15(16)22(2)19(23)25/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyGDGVGUMHQWAFFH-UHFFFAOYSA-N
XLogP3.29
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16594440
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16599570
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-nitrophenyl)propanamide
CID 16961963
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 16592754) is N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is Cc1nc2ccc(NC(=O)CCn3c(=O)n(C)c4ccccc43)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is GDGVGUMHQWAFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-20-14-8-7-13(11-17(14)26-12)21-18(24)9-10-23-16-6-4-3-5-15(16)22(2)19(23)25/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 366.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 16592754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).