2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C11H9FN2OS — CID 737186

IUPAC2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKeyGXDBXDJTVFKURZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.98
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 737186) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID737186
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKeyGXDBXDJTVFKURZ-UHFFFAOYSA-N
XLogP1.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 560765
2-(2-(3-Fluorophenyl)-1,3-thiazol-4-yl)acetic acid
CID 2577541
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
2-{[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482068
2-(4-Fluorophenyl)-4-thiazoleacetic acid
CID 2577547
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-Phenyl-1,3-thiazole-4-carbohydrazide
CID 2740635
1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one
CID 604819
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
2-[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 737179

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 737186) is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is NC(=O)Cc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GXDBXDJTVFKURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15).
What are the key properties of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 236.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 737186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).