5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C13H11Cl2N3OS — CID 7948503

IUPAC5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3OS/c14-8-5-7(6-16-11(8)15)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h5-6H,1-4H2,(H,17,18,19)
InChIKeyUMAWLHNPDKIWEK-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.98
Rot. Bonds2

About 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 7948503) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID7948503
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC Name5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3OS/c14-8-5-7(6-16-11(8)15)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h5-6H,1-4H2,(H,17,18,19)
InChIKeyUMAWLHNPDKIWEK-UHFFFAOYSA-N
XLogP3.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62161403
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 107241316
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
3,5-diacetamido-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
CID 60572213
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
2-chloro-6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 7948491
3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide
CID 26723389
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-4-carboxamide
CID 103763527
5,6-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4848107

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 7948503) is 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is UMAWLHNPDKIWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c14-8-5-7(6-16-11(8)15)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h5-6H,1-4H2,(H,17,18,19).
What are the key properties of 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 328.22 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 7948503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).