[(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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Related Compounds

Metsulfovax
CID 88916
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
4-Methyl-N-((2-oxo-1,2-dihydroquinolin-4-yl)methyl)-N-phenylthiazole-5-carboxamide
CID 42618037
Quinolinone, 10
CID 42618038
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42618042
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 42618044
N,4-dimethyl-2-(2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 3748085
4-Methyl-N-[4-(2-oxo-1-pyrrolidinyl)benzyl]-1,3-thiazole-5-carboxamide
CID 647572
N-(2,4-difluorophenyl)-4-methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 1483722
N-(2,4-difluorophenyl)-4-methyl-2-(2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 4435430
N-(4-fluorophenyl)-4-methyl-2-(2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 5221709
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 6465336

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).