2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide

C11H9Cl2N3OS — CID 113232226

IUPAC2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1ncsc1CNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H9Cl2N3OS/c1-6-8(18-5-15-6)4-14-11(17)7-2-3-9(12)16-10(7)13/h2-3,5H,4H2,1H3,(H,14,17)
InChIKeyQHRYLJYOLIKJPJ-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.08
Rot. Bonds3

About 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide

2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 113232226) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID113232226
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1ncsc1CNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H9Cl2N3OS/c1-6-8(18-5-15-6)4-14-11(17)7-2-3-9(12)16-10(7)13/h2-3,5H,4H2,1H3,(H,14,17)
InChIKeyQHRYLJYOLIKJPJ-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.08
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

2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879
2-amino-5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114923513
4-bromo-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283747
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
3-[4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 77135081
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618520
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide (CID 113232226) is 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide is Cc1ncsc1CNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QHRYLJYOLIKJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6-8(18-5-15-6)4-14-11(17)7-2-3-9(12)16-10(7)13/h2-3,5H,4H2,1H3,(H,14,17).
What are the key properties of 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 302.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 113232226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).