N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide

C12H12FN3OS — CID 2701258

IUPACN-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C12H12FN3OS/c1-8-2-3-9(13)6-10(8)15-11(17)7-16-4-5-18-12(16)14/h2-6,14H,7H2,1H3,(H,15,17)/b14-12-
InChIKeyLAWBULPFZFUZFY-OWBHPGMISA-N
MW265.31 g/mol
LogP2.12
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide (PubChem CID 2701258) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
PubChem CID2701258
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C12H12FN3OS/c1-8-2-3-9(13)6-10(8)15-11(17)7-16-4-5-18-12(16)14/h2-6,14H,7H2,1H3,(H,15,17)/b14-12-
InChIKeyLAWBULPFZFUZFY-OWBHPGMISA-N
XLogP2.12
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-2-nitrophenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 3895466
2-(2-imino-1,3-thiazol-3-yl)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 6602892
N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 4537458
N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53347078
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849624
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127421
2-(2,3-dihydroindol-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084883
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30688297

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide (CID 2701258) is N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide is [H]/N=c1\sccn1CC(=O)Nc1cc(F)ccc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The InChIKey is LAWBULPFZFUZFY-OWBHPGMISA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-8-2-3-9(13)6-10(8)15-11(17)7-16-4-5-18-12(16)14/h2-6,14H,7H2,1H3,(H,15,17)/b14-12-.
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 2701258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).