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

C13H15FN2S — CID 116884603

IUPAC2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
SMILESCc1nc(-c2cccc(F)c2)sc1C(C)CN
InChIInChI=1S/C13H15FN2S/c1-8(7-15)12-9(2)16-13(17-12)10-4-3-5-11(14)6-10/h3-6,8H,7,15H2,1-2H3
InChIKeyNJJRMACCWMSPKL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.32
Rot. Bonds3

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

2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 116884603) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
PubChem CID116884603
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
SMILESCc1nc(-c2cccc(F)c2)sc1C(C)CN
InChIInChI=1S/C13H15FN2S/c1-8(7-15)12-9(2)16-13(17-12)10-4-3-5-11(14)6-10/h3-6,8H,7,15H2,1-2H3
InChIKeyNJJRMACCWMSPKL-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884586
2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886109
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884791
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884597
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287610
2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116886706
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194
2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 90707689
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine (CID 116884603) is 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine is Cc1nc(-c2cccc(F)c2)sc1C(C)CN.
What is the InChIKey of 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is NJJRMACCWMSPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8(7-15)12-9(2)16-13(17-12)10-4-3-5-11(14)6-10/h3-6,8H,7,15H2,1-2H3.
What are the key properties of 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine?
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 116884603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).