2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide

C16H18FN3OS — CID 110109904

IUPAC2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(C2CCCCN2Cc2ccccc2F)s1
InChIInChI=1S/C16H18FN3OS/c17-12-6-2-1-5-11(12)10-20-8-4-3-7-13(20)16-19-9-14(22-16)15(18)21/h1-2,5-6,9,13H,3-4,7-8,10H2,(H2,18,21)
InChIKeyDUDUENGNOTVADR-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide

2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 110109904) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID110109904
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(C2CCCCN2Cc2ccccc2F)s1
InChIInChI=1S/C16H18FN3OS/c17-12-6-2-1-5-11(12)10-20-8-4-3-7-13(20)16-19-9-14(22-16)15(18)21/h1-2,5-6,9,13H,3-4,7-8,10H2,(H2,18,21)
InChIKeyDUDUENGNOTVADR-UHFFFAOYSA-N
XLogP3.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide 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

2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125019699
2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024082
2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124946578
1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane
CID 112826234
(2S)-1-[(2-fluorophenyl)methyl]-2-thiophen-2-ylazepane
CID 92878201
2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125009220
2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024121
4-[2-(dimethylamino)-4-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 92616642
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide (CID 110109904) is 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(C2CCCCN2Cc2ccccc2F)s1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DUDUENGNOTVADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-12-6-2-1-5-11(12)10-20-8-4-3-7-13(20)16-19-9-14(22-16)15(18)21/h1-2,5-6,9,13H,3-4,7-8,10H2,(H2,18,21).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110109904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).