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

C11H17FN2S — CID 126794550

IUPAC2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(CN2CCC(CF)CC2)s1
InChIInChI=1S/C11H17FN2S/c1-9-7-13-11(15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-6,8H2,1H3
InChIKeyMHBPPBBLQXMEFQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.63
Rot. Bonds3

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

2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole (PubChem CID 126794550) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole
PubChem CID126794550
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(CN2CCC(CF)CC2)s1
InChIInChI=1S/C11H17FN2S/c1-9-7-13-11(15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-6,8H2,1H3
InChIKeyMHBPPBBLQXMEFQ-UHFFFAOYSA-N
XLogP2.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidine
CID 1481531
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
5-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 126793861
N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 126804159
5-(3-Fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571133
5-(4-Fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571137
2-Pentan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 90915685
2-Tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole
CID 146338346
5-[(3,3-Difluoropiperidin-1-yl)methyl]-2-methyl-1,3-thiazole;ethane
CID 153556178
2-(2,7-Diazaspiro[3.5]nonan-7-ylmethyl)-5-(difluoromethyl)-1,3-thiazole
CID 168205126
5-(Difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole
CID 169104518
2-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 169691645

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole (CID 126794550) is 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole is Cc1cnc(CN2CCC(CF)CC2)s1.
What is the InChIKey of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole?
The InChIKey is MHBPPBBLQXMEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-9-7-13-11(15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-6,8H2,1H3.
What are the key properties of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole?
2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole has a molecular weight of 228.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 126794550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).