5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one

C14H15N5OS — CID 103220735

IUPAC5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1Cc1cn2ccsc2n1
InChIInChI=1S/C14H15N5OS/c20-13-6-11(16-10-2-1-3-10)7-15-19(13)9-12-8-18-4-5-21-14(18)17-12/h4-8,10,16H,1-3,9H2
InChIKeyJGXSLWRHTUBWFP-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.97
Rot. Bonds4

About 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one

5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one (PubChem CID 103220735) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one
PubChem CID103220735
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1Cc1cn2ccsc2n1
InChIInChI=1S/C14H15N5OS/c20-13-6-11(16-10-2-1-3-10)7-15-19(13)9-12-8-18-4-5-21-14(18)17-12/h4-8,10,16H,1-3,9H2
InChIKeyJGXSLWRHTUBWFP-UHFFFAOYSA-N
XLogP1.97
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223734
5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103220663
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103220561
5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103220632
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103220699
2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220543
5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 103220570
5-(cyclobutylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103220509
2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 103220607
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
CID 113289386

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one (CID 103220735) is 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one is O=c1cc(NC2CCC2)cnn1Cc1cn2ccsc2n1.
What is the InChIKey of 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one?
The InChIKey is JGXSLWRHTUBWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c20-13-6-11(16-10-2-1-3-10)7-15-19(13)9-12-8-18-4-5-21-14(18)17-12/h4-8,10,16H,1-3,9H2.
What are the key properties of 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one?
5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one has a molecular weight of 301.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103220735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).