6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide

C14H9Cl2N3OS — CID 59141892

IUPAC6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Cl)nc1)c1nsc2cccc(Cl)c12
InChIInChI=1S/C14H9Cl2N3OS/c1-19(14(20)8-5-6-11(16)17-7-8)13-12-9(15)3-2-4-10(12)21-18-13/h2-7H,1H3
InChIKeyCMUZZYYXKWKFTJ-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.27
Rot. Bonds2

About 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide

6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide (PubChem CID 59141892) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide
PubChem CID59141892
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC Name6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Cl)nc1)c1nsc2cccc(Cl)c12
InChIInChI=1S/C14H9Cl2N3OS/c1-19(14(20)8-5-6-11(16)17-7-8)13-12-9(15)3-2-4-10(12)21-18-13/h2-7H,1H3
InChIKeyCMUZZYYXKWKFTJ-UHFFFAOYSA-N
XLogP4.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.27
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

6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide
CID 59141837
N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide
CID 59141849
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide
CID 71983520
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-N-methylpyridine-3-carboxamide
CID 9406160
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide (CID 59141892) is 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide is CN(C(=O)c1ccc(Cl)nc1)c1nsc2cccc(Cl)c12.
What is the InChIKey of 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is CMUZZYYXKWKFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c1-19(14(20)8-5-6-11(16)17-7-8)13-12-9(15)3-2-4-10(12)21-18-13/h2-7H,1H3.
What are the key properties of 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide?
6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 338.22 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 59141892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).