N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide

C12H12FN3OS — CID 61170227

IUPACN-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2cscn2)c1
InChIInChI=1S/C12H12FN3OS/c1-8(17)16-9-2-3-11(13)12(4-9)14-5-10-6-18-7-15-10/h2-4,6-7,14H,5H2,1H3,(H,16,17)
InChIKeyVVWMBTXBXGEPFV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.85
Rot. Bonds4

About N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide

N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide (PubChem CID 61170227) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
PubChem CID61170227
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2cscn2)c1
InChIInChI=1S/C12H12FN3OS/c1-8(17)16-9-2-3-11(13)12(4-9)14-5-10-6-18-7-15-10/h2-4,6-7,14H,5H2,1H3,(H,16,17)
InChIKeyVVWMBTXBXGEPFV-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 2532933
N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2533048
N-(3,4-difluorophenyl)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-3-piperidinamine
CID 24817351
(S)-N-(1-(2-amino-3-(thiazol-4-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
CID 44425371
3-fluoro-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 71857317
2-Methylthiazole-4-carboxylic acid 3-fluorophenylamide
CID 11492398
N-Phenyl-1,3-thiazole-4-carboxamide
CID 62045972
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781046
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16196298
N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453414
N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453919
N-(2,5-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453921

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide (CID 61170227) is N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2cscn2)c1.
What is the InChIKey of N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide?
The InChIKey is VVWMBTXBXGEPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-8(17)16-9-2-3-11(13)12(4-9)14-5-10-6-18-7-15-10/h2-4,6-7,14H,5H2,1H3,(H,16,17).
What are the key properties of N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide?
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 61170227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).