2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine

C15H17FN2S — CID 63645196

IUPAC2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine
SMILESCc1ccc(-c2nc(C3CCCC3)sc2N)cc1F
InChIInChI=1S/C15H17FN2S/c1-9-6-7-11(8-12(9)16)13-14(17)19-15(18-13)10-4-2-3-5-10/h6-8,10H,2-5,17H2,1H3
InChIKeyKTUWXHSVPIKOPZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.50
Rot. Bonds2

About 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine

2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine (PubChem CID 63645196) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine
PubChem CID63645196
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine
SMILESCc1ccc(-c2nc(C3CCCC3)sc2N)cc1F
InChIInChI=1S/C15H17FN2S/c1-9-6-7-11(8-12(9)16)13-14(17)19-15(18-13)10-4-2-3-5-10/h6-8,10H,2-5,17H2,1H3
InChIKeyKTUWXHSVPIKOPZ-UHFFFAOYSA-N
XLogP4.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine (CID 63645196) is 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine is Cc1ccc(-c2nc(C3CCCC3)sc2N)cc1F.
What is the InChIKey of 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine?
The InChIKey is KTUWXHSVPIKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-9-6-7-11(8-12(9)16)13-14(17)19-15(18-13)10-4-2-3-5-10/h6-8,10H,2-5,17H2,1H3.
What are the key properties of 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine?
2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine has a molecular weight of 276.38 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 63645196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).