2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C15H12FN3OS2 — CID 42570946

IUPAC2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2cnc(-c3ccccc3F)s2)s1
InChIInChI=1S/C15H12FN3OS2/c1-9-7-18-15(21-9)19-13(20)6-10-8-17-14(22-10)11-4-2-3-5-12(11)16/h2-5,7-8H,6H2,1H3,(H,18,19,20)
InChIKeyJXFKYGIHYPPWJK-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.90
Rot. Bonds4

About 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 42570946) has the molecular formula C15H12FN3OS2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID42570946
Molecular FormulaC15H12FN3OS2
Molecular Weight333.41 g/mol
Exact Mass333.04
IUPAC Name2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2cnc(-c3ccccc3F)s2)s1
InChIInChI=1S/C15H12FN3OS2/c1-9-7-18-15(21-9)19-13(20)6-10-8-17-14(22-10)11-4-2-3-5-12(11)16/h2-5,7-8H,6H2,1H3,(H,18,19,20)
InChIKeyJXFKYGIHYPPWJK-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
CID 5327096
2-Amino-5-thio-substituted thiazole 62
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N-(5-(4-fluorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
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N-(5-Ethylthiazol-2-yl)-2-phenylacetamide
CID 44396065
(3S)-1-cyano-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 118980596
N-(5-(4-Fluorobenzyl)-1,3-thiazol-2-YL)heptanamide
CID 1556523
N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 644846
Thiophene-2-carboxylic acid [5-(4-methyl-benzyl)-thiazol-2-yl]-amide
CID 1113642
N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}thiophene-2-carboxamide
CID 1143580
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2964718
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4785111

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 42570946) is 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cc2cnc(-c3ccccc3F)s2)s1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JXFKYGIHYPPWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS2/c1-9-7-18-15(21-9)19-13(20)6-10-8-17-14(22-10)11-4-2-3-5-12(11)16/h2-5,7-8H,6H2,1H3,(H,18,19,20).
What are the key properties of 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42570946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).