[2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C13H20F2N2S — CID 114216484

IUPAC[2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2CCCC(F)(F)C2)sc1CN
InChIInChI=1S/C13H20F2N2S/c1-2-4-10-11(8-16)18-12(17-10)9-5-3-6-13(14,15)7-9/h9H,2-8,16H2,1H3
InChIKeyDJALHBMDNZOYMG-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.85
Rot. Bonds4

About [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114216484) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114216484
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC Name[2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2CCCC(F)(F)C2)sc1CN
InChIInChI=1S/C13H20F2N2S/c1-2-4-10-11(8-16)18-12(17-10)9-5-3-6-13(14,15)7-9/h9H,2-8,16H2,1H3
InChIKeyDJALHBMDNZOYMG-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114216484) is [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(C2CCCC(F)(F)C2)sc1CN.
What is the InChIKey of [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is DJALHBMDNZOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-2-4-10-11(8-16)18-12(17-10)9-5-3-6-13(14,15)7-9/h9H,2-8,16H2,1H3.
What are the key properties of [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorocyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114216484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).