5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine

C15H17F2N3S — CID 120902010

IUPAC5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CNC2(c3ccc(F)cc3F)CCCC2)s1
InChIInChI=1S/C15H17F2N3S/c16-10-3-4-12(13(17)7-10)15(5-1-2-6-15)20-9-11-8-19-14(18)21-11/h3-4,7-8,20H,1-2,5-6,9H2,(H2,18,19)
InChIKeyWUZRUBFJYOHTJO-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.56
Rot. Bonds4

About 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine

5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120902010) has the molecular formula C15H17F2N3S and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID120902010
Molecular FormulaC15H17F2N3S
Molecular Weight309.38 g/mol
Exact Mass309.11
IUPAC Name5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CNC2(c3ccc(F)cc3F)CCCC2)s1
InChIInChI=1S/C15H17F2N3S/c16-10-3-4-12(13(17)7-10)15(5-1-2-6-15)20-9-11-8-19-14(18)21-11/h3-4,7-8,20H,1-2,5-6,9H2,(H2,18,19)
InChIKeyWUZRUBFJYOHTJO-UHFFFAOYSA-N
XLogP3.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine (CID 120902010) is 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine is Nc1ncc(CNC2(c3ccc(F)cc3F)CCCC2)s1.
What is the InChIKey of 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is WUZRUBFJYOHTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3S/c16-10-3-4-12(13(17)7-10)15(5-1-2-6-15)20-9-11-8-19-14(18)21-11/h3-4,7-8,20H,1-2,5-6,9H2,(H2,18,19).
What are the key properties of 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine?
5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 309.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).