N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide

C19H16N4OS — CID 11856362

IUPACN-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCNc1nsc2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C19H16N4OS/c24-19(16-10-9-13-5-1-3-7-15(13)22-16)21-12-11-20-18-14-6-2-4-8-17(14)25-23-18/h1-10H,11-12H2,(H,20,23)(H,21,24)
InChIKeyJRARAAZDQYQJPI-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide

N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide (PubChem CID 11856362) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide
PubChem CID11856362
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCNc1nsc2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C19H16N4OS/c24-19(16-10-9-13-5-1-3-7-15(13)22-16)21-12-11-20-18-14-6-2-4-8-17(14)25-23-18/h1-10H,11-12H2,(H,20,23)(H,21,24)
InChIKeyJRARAAZDQYQJPI-UHFFFAOYSA-N
XLogP3.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-naphthalen-2-ylbenzamide
CID 57436455
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-2H-benzotriazole-5-carboxamide
CID 11856620
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 11855263
1-N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 58726928
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide
CID 11856359
N-[3-(1,2-benzothiazol-3-ylamino)propyl]pyridine-2-carboxamide
CID 11855264
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-2,5-difluorobenzamide
CID 57436445
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-phenylpropanamide
CID 143285435
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 11854233

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide (CID 11856362) is N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide is O=C(NCCNc1nsc2ccccc12)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide?
The InChIKey is JRARAAZDQYQJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(16-10-9-13-5-1-3-7-15(13)22-16)21-12-11-20-18-14-6-2-4-8-17(14)25-23-18/h1-10H,11-12H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide?
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 11856362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).