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

C13H14FN3OS — CID 61283431

IUPACN-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FN3OS/c1-9-16-12(8-19-9)6-15-7-13(18)17-11-4-2-10(14)3-5-11/h2-5,8,15H,6-7H2,1H3,(H,17,18)
InChIKeyWUBLKANZAOZEMF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (PubChem CID 61283431) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
PubChem CID61283431
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FN3OS/c1-9-16-12(8-19-9)6-15-7-13(18)17-11-4-2-10(14)3-5-11/h2-5,8,15H,6-7H2,1H3,(H,17,18)
InChIKeyWUBLKANZAOZEMF-UHFFFAOYSA-N
XLogP2.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (CID 61283431) is N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is Cc1nc(CNCC(=O)Nc2ccc(F)cc2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The InChIKey is WUBLKANZAOZEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-9-16-12(8-19-9)6-15-7-13(18)17-11-4-2-10(14)3-5-11/h2-5,8,15H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 61283431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).