N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide

C15H15N3O2S — CID 3237471

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc2nc(NC(=O)CCn3cccc3)sc2c1
InChIInChI=1S/C15H15N3O2S/c1-20-11-4-5-12-13(10-11)21-15(16-12)17-14(19)6-9-18-7-2-3-8-18/h2-5,7-8,10H,6,9H2,1H3,(H,16,17,19)
InChIKeyYBZXUTANVCVFPJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.14
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide (PubChem CID 3237471) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
PubChem CID3237471
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc2nc(NC(=O)CCn3cccc3)sc2c1
InChIInChI=1S/C15H15N3O2S/c1-20-11-4-5-12-13(10-11)21-15(16-12)17-14(19)6-9-18-7-2-3-8-18/h2-5,7-8,10H,6,9H2,1H3,(H,16,17,19)
InChIKeyYBZXUTANVCVFPJ-UHFFFAOYSA-N
XLogP3.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 98521137
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 11953106
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 2238971
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide (CID 3237471) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide is COc1ccc2nc(NC(=O)CCn3cccc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The InChIKey is YBZXUTANVCVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-11-4-5-12-13(10-11)21-15(16-12)17-14(19)6-9-18-7-2-3-8-18/h2-5,7-8,10H,6,9H2,1H3,(H,16,17,19).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide has a molecular weight of 301.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3237471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).