2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

C18H21FN2O2S — CID 110021697

IUPAC2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C18H21FN2O2S/c1-21(12-18(23)7-2-3-8-18)17(22)15-11-24-16(20-15)10-13-5-4-6-14(19)9-13/h4-6,9,11,23H,2-3,7-8,10,12H2,1H3
InChIKeyJDXSTZYVTYHMBB-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.25
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110021697) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID110021697
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C18H21FN2O2S/c1-21(12-18(23)7-2-3-8-18)17(22)15-11-24-16(20-15)10-13-5-4-6-14(19)9-13/h4-6,9,11,23H,2-3,7-8,10,12H2,1H3
InChIKeyJDXSTZYVTYHMBB-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-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-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 110021989
2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 166343545
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 114953078
4-[[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542701
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 110021501
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 110021543
7-[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]heptanoic acid
CID 120524058
2-[(3-fluorophenyl)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 99819984
[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 110021460
2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide
CID 110021509
2-[[(3-fluorophenyl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381509
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 110021697) is 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CC1(O)CCCC1)C(=O)c1csc(Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is JDXSTZYVTYHMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-21(12-18(23)7-2-3-8-18)17(22)15-11-24-16(20-15)10-13-5-4-6-14(19)9-13/h4-6,9,11,23H,2-3,7-8,10,12H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110021697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).