4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine

C13H14F2N2OS — CID 2511053

IUPAC4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C13H14F2N2OS/c1-8-12(9-3-4-10(14)11(15)7-9)17-13(19-8)16-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyIWBHNYRJVSDIJI-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.46
Rot. Bonds5

About 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine

4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 2511053) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID2511053
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C13H14F2N2OS/c1-8-12(9-3-4-10(14)11(15)7-9)17-13(19-8)16-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyIWBHNYRJVSDIJI-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 55025921
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 24648632
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 24648672
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide
CID 73016993
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 24648633
5-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812431
4-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 82226845
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 18274113

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine (CID 2511053) is 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine is COCCNc1nc(-c2ccc(F)c(F)c2)c(C)s1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is IWBHNYRJVSDIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-8-12(9-3-4-10(14)11(15)7-9)17-13(19-8)16-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine?
4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 284.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2511053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).