6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide

C11H12ClN5OS — CID 133340499

IUPAC6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide
SMILESCc1csc(CN(C)c2nnc(Cl)cc2C(N)=O)n1
InChIInChI=1S/C11H12ClN5OS/c1-6-5-19-9(14-6)4-17(2)11-7(10(13)18)3-8(12)15-16-11/h3,5H,4H2,1-2H3,(H2,13,18)
InChIKeyLGXKTUBCORCDIC-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.63
Rot. Bonds4

About 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide

6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide (PubChem CID 133340499) has the molecular formula C11H12ClN5OS and a molecular weight of 297.77 g/mol. Its IUPAC name is 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide
PubChem CID133340499
Molecular FormulaC11H12ClN5OS
Molecular Weight297.77 g/mol
Exact Mass297.05
IUPAC Name6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide
SMILESCc1csc(CN(C)c2nnc(Cl)cc2C(N)=O)n1
InChIInChI=1S/C11H12ClN5OS/c1-6-5-19-9(14-6)4-17(2)11-7(10(13)18)3-8(12)15-16-11/h3,5H,4H2,1-2H3,(H2,13,18)
InChIKeyLGXKTUBCORCDIC-UHFFFAOYSA-N
XLogP1.63
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide
CID 75376012
4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 72853672
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68608744
2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670318
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
CID 78993755
3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 1497792
3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86783345
2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86786064
N,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-nitroaniline
CID 133340497
4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol
CID 111427238

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide (CID 133340499) is 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide is Cc1csc(CN(C)c2nnc(Cl)cc2C(N)=O)n1.
What is the InChIKey of 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide?
The InChIKey is LGXKTUBCORCDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5OS/c1-6-5-19-9(14-6)4-17(2)11-7(10(13)18)3-8(12)15-16-11/h3,5H,4H2,1-2H3,(H2,13,18).
What are the key properties of 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide?
6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide has a molecular weight of 297.77 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133340499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).