[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone

C16H18FN3OS — CID 124575758

IUPAC[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1
InChIInChI=1S/C16H18FN3OS/c1-18-11-5-4-8-20(9-11)16(21)14-10-22-15(19-14)12-6-2-3-7-13(12)17/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeySDTXKCQGLSCTCZ-NSHDSACASA-N
MW319.40 g/mol
LogP2.77
Rot. Bonds3

About [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone

[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124575758) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124575758
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1
InChIInChI=1S/C16H18FN3OS/c1-18-11-5-4-8-20(9-11)16(21)14-10-22-15(19-14)12-6-2-3-7-13(12)17/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeySDTXKCQGLSCTCZ-NSHDSACASA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651638
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 52836323

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone (CID 124575758) is [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone is CN[C@H]1CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1.
What is the InChIKey of [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is SDTXKCQGLSCTCZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-18-11-5-4-8-20(9-11)16(21)14-10-22-15(19-14)12-6-2-3-7-13(12)17/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124575758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).