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

C17H15FN2OS2 — CID 40819824

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2OS2/c1-11(12-2-4-14(18)5-3-12)19-16(21)8-15-10-23-17(20-15)13-6-7-22-9-13/h2-7,9-11H,8H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyCDHJESHVYVCTIO-LLVKDONJSA-N
MW346.45 g/mol
LogP4.43
Rot. Bonds5

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

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 40819824) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID40819824
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2OS2/c1-11(12-2-4-14(18)5-3-12)19-16(21)8-15-10-23-17(20-15)13-6-7-22-9-13/h2-7,9-11H,8H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyCDHJESHVYVCTIO-LLVKDONJSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40718331
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203960
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18271232
N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927323
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203864
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
[4-(4-fluorobenzoyl)phenyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 46611736
N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129152
N-(2-propan-2-yloxyphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 38999275

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 40819824) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CDHJESHVYVCTIO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15FN2OS2/c1-11(12-2-4-14(18)5-3-12)19-16(21)8-15-10-23-17(20-15)13-6-7-22-9-13/h2-7,9-11H,8H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 40819824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).