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

C16H19FN2O3S — CID 110021786

IUPAC2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H19FN2O3S/c1-22-9-13(20)5-6-18-16(21)14-10-23-15(19-14)8-11-3-2-4-12(17)7-11/h2-4,7,10,13,20H,5-6,8-9H2,1H3,(H,18,21)
InChIKeyYEHBBRKYXZLXPR-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.00
Rot. Bonds8

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

2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide (PubChem CID 110021786) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide
PubChem CID110021786
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H19FN2O3S/c1-22-9-13(20)5-6-18-16(21)14-10-23-15(19-14)8-11-3-2-4-12(17)7-11/h2-4,7,10,13,20H,5-6,8-9H2,1H3,(H,18,21)
InChIKeyYEHBBRKYXZLXPR-UHFFFAOYSA-N
XLogP2.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-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

7-[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]heptanoic acid
CID 120524058
2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide
CID 110021509
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 110021501
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 110021543
N-(3-aminobutyl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119497113
2-[(3-fluorophenyl)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 99819984
2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide
CID 111433392
N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103877534
2-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 110021989
4-[[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542701
[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 110021460

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide (CID 110021786) is 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide is COCC(O)CCNC(=O)c1csc(Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YEHBBRKYXZLXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-22-9-13(20)5-6-18-16(21)14-10-23-15(19-14)8-11-3-2-4-12(17)7-11/h2-4,7,10,13,20H,5-6,8-9H2,1H3,(H,18,21).
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide?
2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110021786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).