1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine

C13H13FN2S — CID 116891657

IUPAC1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESCc1cc(-c2nc(C3(N)CC3)cs2)ccc1F
InChIInChI=1S/C13H13FN2S/c1-8-6-9(2-3-10(8)14)12-16-11(7-17-12)13(15)4-5-13/h2-3,6-7H,4-5,15H2,1H3
InChIKeyIXOILBNSXNMGTN-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.21
Rot. Bonds2

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

1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine (PubChem CID 116891657) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
PubChem CID116891657
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESCc1cc(-c2nc(C3(N)CC3)cs2)ccc1F
InChIInChI=1S/C13H13FN2S/c1-8-6-9(2-3-10(8)14)12-16-11(7-17-12)13(15)4-5-13/h2-3,6-7H,4-5,15H2,1H3
InChIKeyIXOILBNSXNMGTN-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine (CID 116891657) is 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine is Cc1cc(-c2nc(C3(N)CC3)cs2)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The InChIKey is IXOILBNSXNMGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c1-8-6-9(2-3-10(8)14)12-16-11(7-17-12)13(15)4-5-13/h2-3,6-7H,4-5,15H2,1H3.
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 116891657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).