2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole

C17H20F2N2S — CID 18187453

IUPAC2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole
SMILESCCc1nc(Cc2ccc(F)cc2F)sc1C1CCNCC1
InChIInChI=1S/C17H20F2N2S/c1-2-15-17(11-5-7-20-8-6-11)22-16(21-15)9-12-3-4-13(18)10-14(12)19/h3-4,10-11,20H,2,5-9H2,1H3
InChIKeyLXYKAORINQVPAG-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.04
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole

2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187453) has the molecular formula C17H20F2N2S and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187453
Molecular FormulaC17H20F2N2S
Molecular Weight322.42 g/mol
Exact Mass322.13
IUPAC Name2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole
SMILESCCc1nc(Cc2ccc(F)cc2F)sc1C1CCNCC1
InChIInChI=1S/C17H20F2N2S/c1-2-15-17(11-5-7-20-8-6-11)22-16(21-15)9-12-3-4-13(18)10-14(12)19/h3-4,10-11,20H,2,5-9H2,1H3
InChIKeyLXYKAORINQVPAG-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817622
4-Methyl-5-phenyl-2-(3-(piperidin-1-yl)propoxy)thiazole
CID 52943847
4-Methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole
CID 169260080
4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-methyl-, monohydrochloride, (Z)-
CID 6434476
4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-methyl-, monohydrochloride, (E)-
CID 6434478
4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-2-methyl-4-(3-(methylamino)propylidene)-
CID 6435608
5-Thiazoleethanamine, 4-methyl-N-(1-methyl-2-phenylethyl)-, monohydrochloride
CID 11971059
2-phenyl-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine
CID 22337487
5-(3-Fluorophenyl)-2,4-dimethyl-1,3-thiazole
CID 58245751
5-(4-Fluorophenyl)-2,4-dimethyl-1,3-thiazole
CID 59701319
2-[Difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole
CID 134950577
4-(4-Fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 10319392

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole (CID 18187453) is 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole is CCc1nc(Cc2ccc(F)cc2F)sc1C1CCNCC1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is LXYKAORINQVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2S/c1-2-15-17(11-5-7-20-8-6-11)22-16(21-15)9-12-3-4-13(18)10-14(12)19/h3-4,10-11,20H,2,5-9H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole?
2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 322.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).