1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

C14H20F2N2S — CID 128922225

IUPAC1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESNC1(c2nc(C3CCC(F)(F)CC3)cs2)CCCC1
InChIInChI=1S/C14H20F2N2S/c15-14(16)7-3-10(4-8-14)11-9-19-12(18-11)13(17)5-1-2-6-13/h9-10H,1-8,17H2
InChIKeyYMUSELYQZPTJOO-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.16
Rot. Bonds2

About 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (PubChem CID 128922225) has the molecular formula C14H20F2N2S and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
PubChem CID128922225
Molecular FormulaC14H20F2N2S
Molecular Weight286.39 g/mol
Exact Mass286.13
IUPAC Name1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESNC1(c2nc(C3CCC(F)(F)CC3)cs2)CCCC1
InChIInChI=1S/C14H20F2N2S/c15-14(16)7-3-10(4-8-14)11-9-19-12(18-11)13(17)5-1-2-6-13/h9-10H,1-8,17H2
InChIKeyYMUSELYQZPTJOO-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (CID 128922225) is 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is NC1(c2nc(C3CCC(F)(F)CC3)cs2)CCCC1.
What is the InChIKey of 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The InChIKey is YMUSELYQZPTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2S/c15-14(16)7-3-10(4-8-14)11-9-19-12(18-11)13(17)5-1-2-6-13/h9-10H,1-8,17H2.
What are the key properties of 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine has a molecular weight of 286.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 128922225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).