N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

C15H16FN3O2S — CID 110676773

IUPACN-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1nc(C)sc1-c1ccccc1F
InChIInChI=1S/C15H16FN3O2S/c1-9(20)17-7-8-18-15(21)13-14(22-10(2)19-13)11-5-3-4-6-12(11)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCJXMDCXLNIGMBW-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.12
Rot. Bonds5

About N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110676773) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID110676773
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1nc(C)sc1-c1ccccc1F
InChIInChI=1S/C15H16FN3O2S/c1-9(20)17-7-8-18-15(21)13-14(22-10(2)19-13)11-5-3-4-6-12(11)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCJXMDCXLNIGMBW-UHFFFAOYSA-N
XLogP2.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-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

N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110676745
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118426768
5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole
CID 142184130
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
N-[[(4R)-3-[5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073719
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
[(3aS,6aS)-2-(4,6-dimethoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 124565161
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 71709641
3-(2-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084261
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 110676773) is N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is CC(=O)NCCNC(=O)c1nc(C)sc1-c1ccccc1F.
What is the InChIKey of N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is CJXMDCXLNIGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-9(20)17-7-8-18-15(21)13-14(22-10(2)19-13)11-5-3-4-6-12(11)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110676773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).