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

C14H17FN2S — CID 82045060

IUPAC2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
SMILESCc1cc(-c2nc(C(C)CN)sc2C)ccc1F
InChIInChI=1S/C14H17FN2S/c1-8-6-11(4-5-12(8)15)13-10(3)18-14(17-13)9(2)7-16/h4-6,9H,7,16H2,1-3H3
InChIKeyNTDVNONIFSWYHG-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds3

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

2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 82045060) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
PubChem CID82045060
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
SMILESCc1cc(-c2nc(C(C)CN)sc2C)ccc1F
InChIInChI=1S/C14H17FN2S/c1-8-6-11(4-5-12(8)15)13-10(3)18-14(17-13)9(2)7-16/h4-6,9H,7,16H2,1-3H3
InChIKeyNTDVNONIFSWYHG-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 55102196
2-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 114079045
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82129199
4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 79831802
4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
CID 79838983
4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
CID 62122450
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
CID 28710048
[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
CID 82391992
4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine
CID 82472828
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62219778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine (CID 82045060) is 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine is Cc1cc(-c2nc(C(C)CN)sc2C)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is NTDVNONIFSWYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-8-6-11(4-5-12(8)15)13-10(3)18-14(17-13)9(2)7-16/h4-6,9H,7,16H2,1-3H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 82045060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).