4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

C19H17N3OS2 — CID 2567894

IUPAC4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1
InChIInChI=1S/C19H17N3OS2/c1-12-9-10-14-16(11-12)25-19(21-14)22-17(23)7-4-8-18-20-13-5-2-3-6-15(13)24-18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,22,23)
InChIKeyOYBYBYRPENJHEL-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.18
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (PubChem CID 2567894) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
PubChem CID2567894
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1
InChIInChI=1S/C19H17N3OS2/c1-12-9-10-14-16(11-12)25-19(21-14)22-17(23)7-4-8-18-20-13-5-2-3-6-15(13)24-18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,22,23)
InChIKeyOYBYBYRPENJHEL-UHFFFAOYSA-N
XLogP5.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

LH-846
CID 851474
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-Benzothiazol-2-yl-benzamide
CID 689669
2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653
Iwp-2
CID 2155128
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(6-Aminobenzo[d]thiazol-2-yl)cyclohexanecarboxamide
CID 834590
Cyclohexanecarboxylic acid (2-acetylamino-4-methyl-benzothiazol-6-yl)-amide
CID 1160464
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 640711

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (CID 2567894) is 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is Cc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is OYBYBYRPENJHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-12-9-10-14-16(11-12)25-19(21-14)22-17(23)7-4-8-18-20-13-5-2-3-6-15(13)24-18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,22,23).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 367.50 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 2567894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).