4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

C12H15ClN4O2S — CID 106382216

IUPAC4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCCn1ncc(NCc2csc(=O)[nH]2)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4O2S/c1-2-3-4-17-11(18)10(13)9(6-15-17)14-5-8-7-20-12(19)16-8/h6-7,14H,2-5H2,1H3,(H,16,19)
InChIKeyMHTWVPBWNGKADL-UHFFFAOYSA-N
MW314.80 g/mol
LogP2.06
Rot. Bonds6

About 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382216) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382216
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCCn1ncc(NCc2csc(=O)[nH]2)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4O2S/c1-2-3-4-17-11(18)10(13)9(6-15-17)14-5-8-7-20-12(19)16-8/h6-7,14H,2-5H2,1H3,(H,16,19)
InChIKeyMHTWVPBWNGKADL-UHFFFAOYSA-N
XLogP2.06
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382261
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
5-[(3-bromothiophen-2-yl)methylamino]-2-butyl-4-chloropyridazin-3-one
CID 114440350
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
2-butyl-4-chloro-5-[(2-methyl-2-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114442319
2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 114433970
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114434597

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106382216) is 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCCCn1ncc(NCc2csc(=O)[nH]2)c(Cl)c1=O.
What is the InChIKey of 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MHTWVPBWNGKADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-2-3-4-17-11(18)10(13)9(6-15-17)14-5-8-7-20-12(19)16-8/h6-7,14H,2-5H2,1H3,(H,16,19).
What are the key properties of 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 314.80 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).