2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine

C11H10F2N2OS — CID 116864535

IUPAC2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine
SMILESCOc1cc(F)c(-c2nc(C)c(N)s2)cc1F
InChIInChI=1S/C11H10F2N2OS/c1-5-10(14)17-11(15-5)6-3-8(13)9(16-2)4-7(6)12/h3-4H,14H2,1-2H3
InChIKeyPDCVHQOMOJLAOJ-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.99
Rot. Bonds2

About 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine

2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine (PubChem CID 116864535) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine
PubChem CID116864535
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine
SMILESCOc1cc(F)c(-c2nc(C)c(N)s2)cc1F
InChIInChI=1S/C11H10F2N2OS/c1-5-10(14)17-11(15-5)6-3-8(13)9(16-2)4-7(6)12/h3-4H,14H2,1-2H3
InChIKeyPDCVHQOMOJLAOJ-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864511
2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol
CID 116889694
2,5-difluoro-4-methoxyaniline
CID 45090681
4-(2,5-difluoro-4-methoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967804
methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199677
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116977036
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827288
2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84609274
2-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886039
5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine
CID 90142190

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine (CID 116864535) is 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine is COc1cc(F)c(-c2nc(C)c(N)s2)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine?
The InChIKey is PDCVHQOMOJLAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-5-10(14)17-11(15-5)6-3-8(13)9(16-2)4-7(6)12/h3-4H,14H2,1-2H3.
What are the key properties of 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine?
2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine has a molecular weight of 256.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 116864535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).