N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide

C15H12ClN3OS — CID 16559857

IUPACN-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)nc1)c1nc2ccccc2s1
InChIInChI=1S/C15H12ClN3OS/c1-2-19(14(20)10-7-8-13(16)17-9-10)15-18-11-5-3-4-6-12(11)21-15/h3-9H,2H2,1H3
InChIKeyNQZGCZUKTVOEEA-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.01
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide (PubChem CID 16559857) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
PubChem CID16559857
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)nc1)c1nc2ccccc2s1
InChIInChI=1S/C15H12ClN3OS/c1-2-19(14(20)10-7-8-13(16)17-9-10)15-18-11-5-3-4-6-12(11)21-15/h3-9H,2H2,1H3
InChIKeyNQZGCZUKTVOEEA-UHFFFAOYSA-N
XLogP4.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18193246
N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide
CID 18193276
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-N-methylpyridine-3-carboxamide
CID 9406160
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16600618
N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide
CID 16559996
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34189725
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide (CID 16559857) is N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide is CCN(C(=O)c1ccc(Cl)nc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide?
The InChIKey is NQZGCZUKTVOEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-2-19(14(20)10-7-8-13(16)17-9-10)15-18-11-5-3-4-6-12(11)21-15/h3-9H,2H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 16559857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).