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

C12H13FN2S — CID 50987518

IUPAC1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)N
InChIInChI=1S/C12H13FN2S/c1-7(14)11-8(2)15-12(16-11)9-3-5-10(13)6-4-9/h3-7H,14H2,1-2H3
InChIKeySRQCMMRUSQIPLF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.28
Rot. Bonds2

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

1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 50987518) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID50987518
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)N
InChIInChI=1S/C12H13FN2S/c1-7(14)11-8(2)15-12(16-11)9-3-5-10(13)6-4-9/h3-7H,14H2,1-2H3
InChIKeySRQCMMRUSQIPLF-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 50987518) is 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2ccc(F)cc2)sc1C(C)N.
What is the InChIKey of 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is SRQCMMRUSQIPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-7(14)11-8(2)15-12(16-11)9-3-5-10(13)6-4-9/h3-7H,14H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 236.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 50987518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).