N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide

C19H14N4O2S — CID 71894798

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide
SMILESO=C(NCc1nc2ccccc2s1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C19H14N4O2S/c24-18(21-11-17-22-15-6-1-2-9-16(15)26-17)19(25)23-14-8-3-7-13-12(14)5-4-10-20-13/h1-10H,11H2,(H,21,24)(H,23,25)
InChIKeySPWHNYVUYBMKRH-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.10
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide

N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide (PubChem CID 71894798) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide
PubChem CID71894798
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide
SMILESO=C(NCc1nc2ccccc2s1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C19H14N4O2S/c24-18(21-11-17-22-15-6-1-2-9-16(15)26-17)19(25)23-14-8-3-7-13-12(14)5-4-10-20-13/h1-10H,11H2,(H,21,24)(H,23,25)
InChIKeySPWHNYVUYBMKRH-UHFFFAOYSA-N
XLogP3.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide
CID 57331135
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
CID 18110682
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 38285207
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide (CID 71894798) is N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide is O=C(NCc1nc2ccccc2s1)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide?
The InChIKey is SPWHNYVUYBMKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-18(21-11-17-22-15-6-1-2-9-16(15)26-17)19(25)23-14-8-3-7-13-12(14)5-4-10-20-13/h1-10H,11H2,(H,21,24)(H,23,25).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide?
N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide has a molecular weight of 362.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide is sourced from PubChem (CID 71894798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).