[(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone

C17H21N5O2S — CID 97487529

IUPAC[(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCOC[C@@H]1c1csc(NCC2CCC2)n1
InChIInChI=1S/C17H21N5O2S/c23-16(13-4-5-19-20-9-13)22-6-7-24-10-15(22)14-11-25-17(21-14)18-8-12-2-1-3-12/h4-5,9,11-12,15H,1-3,6-8,10H2,(H,18,21)/t15-/m1/s1
InChIKeyLSLJPKLPXQXKBQ-OAHLLOKOSA-N
MW359.46 g/mol
LogP2.36
Rot. Bonds5

About [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone

[(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone (PubChem CID 97487529) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
PubChem CID97487529
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name[(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCOC[C@@H]1c1csc(NCC2CCC2)n1
InChIInChI=1S/C17H21N5O2S/c23-16(13-4-5-19-20-9-13)22-6-7-24-10-15(22)14-11-25-17(21-14)18-8-12-2-1-3-12/h4-5,9,11-12,15H,1-3,6-8,10H2,(H,18,21)/t15-/m1/s1
InChIKeyLSLJPKLPXQXKBQ-OAHLLOKOSA-N
XLogP2.36
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 97486030
[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 131643119
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 97486089
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485782
(1-methylindol-3-yl)-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131653318
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
cyclopenten-1-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485709
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969
(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97486526

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone (CID 97487529) is [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCOC[C@@H]1c1csc(NCC2CCC2)n1.
What is the InChIKey of [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The InChIKey is LSLJPKLPXQXKBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-16(13-4-5-19-20-9-13)22-6-7-24-10-15(22)14-11-25-17(21-14)18-8-12-2-1-3-12/h4-5,9,11-12,15H,1-3,6-8,10H2,(H,18,21)/t15-/m1/s1.
What are the key properties of [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
[(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone has a molecular weight of 359.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(cyclobutylmethylamino)-1,3-thiazol-4-yl]morpholin-4-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97487529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).