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

C12H12FN3OS — CID 110718049

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
SMILESNc1nc(CNC(=O)Cc2ccccc2F)cs1
InChIInChI=1S/C12H12FN3OS/c13-10-4-2-1-3-8(10)5-11(17)15-6-9-7-18-12(14)16-9/h1-4,7H,5-6H2,(H2,14,16)(H,15,17)
InChIKeyGHIPVWNFOMSREI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds4

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

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 110718049) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
PubChem CID110718049
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
SMILESNc1nc(CNC(=O)Cc2ccccc2F)cs1
InChIInChI=1S/C12H12FN3OS/c13-10-4-2-1-3-8(10)5-11(17)15-6-9-7-18-12(14)16-9/h1-4,7H,5-6H2,(H2,14,16)(H,15,17)
InChIKeyGHIPVWNFOMSREI-UHFFFAOYSA-N
XLogP1.72
TPSA68.01 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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine
CID 82473163
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
CID 62798369
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170888
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 131942099
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide (CID 110718049) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide is Nc1nc(CNC(=O)Cc2ccccc2F)cs1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is GHIPVWNFOMSREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-10-4-2-1-3-8(10)5-11(17)15-6-9-7-18-12(14)16-9/h1-4,7H,5-6H2,(H2,14,16)(H,15,17).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 110718049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).