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

C12H11Cl2N3OS — CID 103709249

IUPAC3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2nc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H11Cl2N3OS/c1-2-7-5-15-10(19-7)6-16-12(18)11-8(13)3-4-9(14)17-11/h3-5H,2,6H2,1H3,(H,16,18)
InChIKeyCNUXMMAIOOWWGK-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.34
Rot. Bonds4

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

3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 103709249) has the molecular formula C12H11Cl2N3OS and a molecular weight of 316.21 g/mol. Its IUPAC name is 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID103709249
Molecular FormulaC12H11Cl2N3OS
Molecular Weight316.21 g/mol
Exact Mass315.00
IUPAC Name3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2nc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H11Cl2N3OS/c1-2-7-5-15-10(19-7)6-16-12(18)11-8(13)3-4-9(14)17-11/h3-5H,2,6H2,1H3,(H,16,18)
InChIKeyCNUXMMAIOOWWGK-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.34
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

5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
3,6-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 65243704
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957294
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103709190
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 103709214
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
CID 113245129
4-[[(3,6-dichloropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 103602653

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (CID 103709249) is 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is CCc1cnc(CNC(=O)c2nc(Cl)ccc2Cl)s1.
What is the InChIKey of 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is CNUXMMAIOOWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS/c1-2-7-5-15-10(19-7)6-16-12(18)11-8(13)3-4-9(14)17-11/h3-5H,2,6H2,1H3,(H,16,18).
What are the key properties of 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 316.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103709249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).