4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one

C13H18BrN5OS — CID 114437744

IUPAC4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
SMILESCc1ncsc1CNc1cnn(CCN(C)C)c(=O)c1Br
InChIInChI=1S/C13H18BrN5OS/c1-9-11(21-8-16-9)7-15-10-6-17-19(5-4-18(2)3)13(20)12(10)14/h6,8,15H,4-5,7H2,1-3H3
InChIKeyYKCLRVPHRNSLDC-UHFFFAOYSA-N
MW372.29 g/mol
LogP1.94
Rot. Bonds6

About 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one

4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one (PubChem CID 114437744) has the molecular formula C13H18BrN5OS and a molecular weight of 372.29 g/mol. Its IUPAC name is 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
PubChem CID114437744
Molecular FormulaC13H18BrN5OS
Molecular Weight372.29 g/mol
Exact Mass371.04
IUPAC Name4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
SMILESCc1ncsc1CNc1cnn(CCN(C)C)c(=O)c1Br
InChIInChI=1S/C13H18BrN5OS/c1-9-11(21-8-16-9)7-15-10-6-17-19(5-4-18(2)3)13(20)12(10)14/h6,8,15H,4-5,7H2,1-3H3
InChIKeyYKCLRVPHRNSLDC-UHFFFAOYSA-N
XLogP1.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one with MolForge

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Related Compounds

4-bromo-2-[2-(dimethylamino)ethyl]-5-(1,3-thiazol-4-ylmethylamino)pyridazin-3-one
CID 114438059
4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402588
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433019
methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
CID 114432337
4-bromo-5-(2-cyclopropylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439471
4-bromo-2-[2-(dimethylamino)ethyl]-5-(pentan-3-ylamino)pyridazin-3-one
CID 114431621
4-bromo-2-[2-(dimethylamino)ethyl]-5-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
CID 114434932
4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114437750
4-bromo-5-[(3-ethylthiophen-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114440240
2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
CID 133290057
5-(4-aminoanilino)-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114444754

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one (CID 114437744) is 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one is Cc1ncsc1CNc1cnn(CCN(C)C)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one?
The InChIKey is YKCLRVPHRNSLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5OS/c1-9-11(21-8-16-9)7-15-10-6-17-19(5-4-18(2)3)13(20)12(10)14/h6,8,15H,4-5,7H2,1-3H3.
What are the key properties of 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one?
4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one has a molecular weight of 372.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114437744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).