1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C12H18F2N2S — CID 114215894

IUPAC1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)C2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H18F2N2S/c1-8-7-17-11(16-8)5-10(15)9-3-2-4-12(13,14)6-9/h7,9-10H,2-6,15H2,1H3
InChIKeyHXHUCROJNFSTOR-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.15
Rot. Bonds3

About 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 114215894) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID114215894
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)C2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H18F2N2S/c1-8-7-17-11(16-8)5-10(15)9-3-2-4-12(13,14)6-9/h7,9-10H,2-6,15H2,1H3
InChIKeyHXHUCROJNFSTOR-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 114215894) is 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CC(N)C2CCCC(F)(F)C2)n1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is HXHUCROJNFSTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-8-7-17-11(16-8)5-10(15)9-3-2-4-12(13,14)6-9/h7,9-10H,2-6,15H2,1H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 260.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 114215894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).