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

C13H14FN3OS — CID 54913747

IUPACN-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
SMILESCc1csc(CNCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C13H14FN3OS/c1-9-8-19-13(16-9)7-15-6-12(18)17-11-5-3-2-4-10(11)14/h2-5,8,15H,6-7H2,1H3,(H,17,18)
InChIKeyDKGNRFXMJBSMFL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide (PubChem CID 54913747) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
PubChem CID54913747
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
SMILESCc1csc(CNCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C13H14FN3OS/c1-9-8-19-13(16-9)7-15-6-12(18)17-11-5-3-2-4-10(11)14/h2-5,8,15H,6-7H2,1H3,(H,17,18)
InChIKeyDKGNRFXMJBSMFL-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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Related Compounds

2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043735
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553
2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110484551
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362871
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924252
N-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484536
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-nitroaniline
CID 61043004
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]but-2-enoic acid
CID 103242297

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide (CID 54913747) is N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide is Cc1csc(CNCC(=O)Nc2ccccc2F)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide?
The InChIKey is DKGNRFXMJBSMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-9-8-19-13(16-9)7-15-6-12(18)17-11-5-3-2-4-10(11)14/h2-5,8,15H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide?
N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-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-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 54913747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).