4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole

C15H17FN2OS — CID 177184061

IUPAC4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
SMILESCOc1cc(F)ccc1-c1csc([C@@H]2CCCNC2)n1
InChIInChI=1S/C15H17FN2OS/c1-19-14-7-11(16)4-5-12(14)13-9-20-15(18-13)10-3-2-6-17-8-10/h4-5,7,9-10,17H,2-3,6,8H2,1H3/t10-/m1/s1
InChIKeyGSZVHDSXWFCQFX-SNVBAGLBSA-N
MW292.38 g/mol
LogP3.42
Rot. Bonds3

About 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole

4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole (PubChem CID 177184061) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
PubChem CID177184061
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
SMILESCOc1cc(F)ccc1-c1csc([C@@H]2CCCNC2)n1
InChIInChI=1S/C15H17FN2OS/c1-19-14-7-11(16)4-5-12(14)13-9-20-15(18-13)10-3-2-6-17-8-10/h4-5,7,9-10,17H,2-3,6,8H2,1H3/t10-/m1/s1
InChIKeyGSZVHDSXWFCQFX-SNVBAGLBSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
CID 116965323
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541775
(2R)-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177184063
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 55242521
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026122

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole (CID 177184061) is 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole is COc1cc(F)ccc1-c1csc([C@@H]2CCCNC2)n1.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole?
The InChIKey is GSZVHDSXWFCQFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-19-14-7-11(16)4-5-12(14)13-9-20-15(18-13)10-3-2-6-17-8-10/h4-5,7,9-10,17H,2-3,6,8H2,1H3/t10-/m1/s1.
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole?
4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole has a molecular weight of 292.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 177184061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).