[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C14H16N4O2S — CID 100625527

IUPAC[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1ccc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)nn1
InChIInChI=1S/C14H16N4O2S/c1-9-3-4-13(17-16-9)20-11-5-6-18(7-11)14(19)12-8-21-10(2)15-12/h3-4,8,11H,5-7H2,1-2H3/t11-/m0/s1
InChIKeySPLBCPTTXPHQRO-NSHDSACASA-N
MW304.38 g/mol
LogP1.84
Rot. Bonds3

About [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 100625527) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID100625527
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1ccc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)nn1
InChIInChI=1S/C14H16N4O2S/c1-9-3-4-13(17-16-9)20-11-5-6-18(7-11)14(19)12-8-21-10(2)15-12/h3-4,8,11H,5-7H2,1-2H3/t11-/m0/s1
InChIKeySPLBCPTTXPHQRO-NSHDSACASA-N
XLogP1.84
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419
[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129418276
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189
3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 91627317
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 91627370
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006
4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100627350
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 100625527) is [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1ccc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)nn1.
What is the InChIKey of [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is SPLBCPTTXPHQRO-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-3-4-13(17-16-9)20-11-5-6-18(7-11)14(19)12-8-21-10(2)15-12/h3-4,8,11H,5-7H2,1-2H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 304.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 100625527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).