4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine

C13H15FN2S — CID 112677103

IUPAC4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(NC(C)C)nc1-c1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-8(2)15-13-16-12(9(3)17-13)10-6-4-5-7-11(10)14/h4-8H,1-3H3,(H,15,16)
InChIKeyMILJQLSMAZKXNG-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.08
Rot. Bonds3

About 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine

4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 112677103) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID112677103
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(NC(C)C)nc1-c1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-8(2)15-13-16-12(9(3)17-13)10-6-4-5-7-11(10)14/h4-8H,1-3H3,(H,15,16)
InChIKeyMILJQLSMAZKXNG-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 39373637
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 112677183
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 115994516
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890
4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 17457742
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
CID 116868773
4-(2-fluorophenyl)-5-methyl-1,3-thiazole
CID 67275565
5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole
CID 142184130
6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 116531152
6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975357
4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867130
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 112677103) is 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine is Cc1sc(NC(C)C)nc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is MILJQLSMAZKXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8(2)15-13-16-12(9(3)17-13)10-6-4-5-7-11(10)14/h4-8H,1-3H3,(H,15,16).
What are the key properties of 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 250.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 112677103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).