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

C11H10Cl2N4OS — CID 114038446

IUPAC3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
SMILESCc1ncc(CN(C)C(=O)c2cc(Cl)nnc2Cl)s1
InChIInChI=1S/C11H10Cl2N4OS/c1-6-14-4-7(19-6)5-17(2)11(18)8-3-9(12)15-16-10(8)13/h3-4H,5H2,1-2H3
InChIKeyNBDXAPVLGAMAKP-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.82
Rot. Bonds3

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

3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide (PubChem CID 114038446) has the molecular formula C11H10Cl2N4OS and a molecular weight of 317.20 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
PubChem CID114038446
Molecular FormulaC11H10Cl2N4OS
Molecular Weight317.20 g/mol
Exact Mass316.00
IUPAC Name3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
SMILESCc1ncc(CN(C)C(=O)c2cc(Cl)nnc2Cl)s1
InChIInChI=1S/C11H10Cl2N4OS/c1-6-14-4-7(19-6)5-17(2)11(18)8-3-9(12)15-16-10(8)13/h3-4H,5H2,1-2H3
InChIKeyNBDXAPVLGAMAKP-UHFFFAOYSA-N
XLogP2.82
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 61052923
5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61110078
3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107120715
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 65309172
3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113349585
3,6-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridazine-4-carboxamide
CID 64512743
ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate
CID 55003828
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
4-amino-3-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107074564
3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide
CID 114038503
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide
CID 60794318

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide (CID 114038446) is 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide is Cc1ncc(CN(C)C(=O)c2cc(Cl)nnc2Cl)s1.
What is the InChIKey of 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide?
The InChIKey is NBDXAPVLGAMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4OS/c1-6-14-4-7(19-6)5-17(2)11(18)8-3-9(12)15-16-10(8)13/h3-4H,5H2,1-2H3.
What are the key properties of 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide?
3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide has a molecular weight of 317.20 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 114038446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).