N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C17H15FN2OS2 — CID 20995789

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C17H15FN2OS2/c1-11-20-17(14-3-2-8-22-14)15(23-11)9-16(21)19-10-12-4-6-13(18)7-5-12/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyAZISJEJOQLJZMD-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.18
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 20995789) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID20995789
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C17H15FN2OS2/c1-11-20-17(14-3-2-8-22-14)15(23-11)9-16(21)19-10-12-4-6-13(18)7-5-12/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyAZISJEJOQLJZMD-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-{2-methyl-4-[4-(methylsulfanyl)phenyl]-1,3-thiazol-5-yl}cyclohexane-1-carboxamide
CID 16747703
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}thiophene-2-carboxamide
CID 7207745
N-(cyanomethyl)-5,5-difluoro-2-[2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxamide
CID 44440453
3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 2107270
2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2475602
N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 9344082
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 123844711
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
CID 732488
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-thiophenecarboxamide
CID 737898
N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2533631

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 20995789) is N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(F)cc2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is AZISJEJOQLJZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS2/c1-11-20-17(14-3-2-8-22-14)15(23-11)9-16(21)19-10-12-4-6-13(18)7-5-12/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 20995789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).