2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one

C10H9FN2OS — CID 2872834

IUPAC2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(F)cc2)S1
InChIInChI=1S/C10H9FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)
InChIKeyUASXAYBRRLOPQA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one

2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one (PubChem CID 2872834) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one
PubChem CID2872834
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(F)cc2)S1
InChIInChI=1S/C10H9FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)
InChIKeyUASXAYBRRLOPQA-UHFFFAOYSA-N
XLogP1.32
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydroquinazolin-4-ol
CID 135546848
2-Imino-5-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 2841532
2-Amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one
CID 2841517
2-{[(3-Fluorophenyl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one
CID 135476874
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 2796389
5-[(4-Bromophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
CID 2872777
1-[(2E)-5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 3157019
2-Imino-5-benzyl-1,3-thiazolidin-4-one
CID 2729442
4-Thiazolidinone, 2-imino-5-phenyl-
CID 220172
2-((4-Fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one
CID 135531136
5-Benzyl-2-imino-1,3-thiazolan-4-one
CID 137629431
2-Amino-5-[(3-methylphenyl)methyl]-1,3-thiazol-4-one;hydrochloride
CID 16192958

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one (CID 2872834) is 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one is NC1=NC(=O)C(Cc2ccc(F)cc2)S1.
What is the InChIKey of 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is UASXAYBRRLOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14).
What are the key properties of 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one?
2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 224.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 2872834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).