[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

C18H19FN4OS — CID 42197512

IUPAC[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1nc2sccn2c1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN4OS/c1-12-16(23-9-10-25-18(23)20-12)17(24)22-8-2-3-15(11-22)21-14-6-4-13(19)5-7-14/h4-7,9-10,15,21H,2-3,8,11H2,1H3/t15-/m0/s1
InChIKeyDRDLNLISOYYNFA-HNNXBMFYSA-N
MW358.44 g/mol
LogP3.56
Rot. Bonds3

About [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (PubChem CID 42197512) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
PubChem CID42197512
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1nc2sccn2c1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN4OS/c1-12-16(23-9-10-25-18(23)20-12)17(24)22-8-2-3-15(11-22)21-14-6-4-13(19)5-7-14/h4-7,9-10,15,21H,2-3,8,11H2,1H3/t15-/m0/s1
InChIKeyDRDLNLISOYYNFA-HNNXBMFYSA-N
XLogP3.56
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (CID 42197512) is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is Cc1nc2sccn2c1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The InChIKey is DRDLNLISOYYNFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-12-16(23-9-10-25-18(23)20-12)17(24)22-8-2-3-15(11-22)21-14-6-4-13(19)5-7-14/h4-7,9-10,15,21H,2-3,8,11H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is sourced from PubChem (CID 42197512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).