[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C16H18FN3OS — CID 42242238

IUPAC[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3OS/c1-11-15(22-10-18-11)16(21)20-8-2-3-14(9-20)19-13-6-4-12(17)5-7-13/h4-7,10,14,19H,2-3,8-9H2,1H3/t14-/m0/s1
InChIKeyCUIZVPXEBYPWQD-AWEZNQCLSA-N
MW319.40 g/mol
LogP3.31
Rot. Bonds3

About [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 42242238) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID42242238
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3OS/c1-11-15(22-10-18-11)16(21)20-8-2-3-14(9-20)19-13-6-4-12(17)5-7-13/h4-7,10,14,19H,2-3,8-9H2,1H3/t14-/m0/s1
InChIKeyCUIZVPXEBYPWQD-AWEZNQCLSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 42242238) is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is CUIZVPXEBYPWQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-11-15(22-10-18-11)16(21)20-8-2-3-14(9-20)19-13-6-4-12(17)5-7-13/h4-7,10,14,19H,2-3,8-9H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 319.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 42242238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).