N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine

C12H19F3N2S — CID 104924941

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine
SMILESCCc1cnc(CNC(C)CCCC(F)(F)F)s1
InChIInChI=1S/C12H19F3N2S/c1-3-10-7-17-11(18-10)8-16-9(2)5-4-6-12(13,14)15/h7,9,16H,3-6,8H2,1-2H3
InChIKeyUDMJDSCDQUVYCV-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.92
Rot. Bonds7

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine (PubChem CID 104924941) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine
PubChem CID104924941
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine
SMILESCCc1cnc(CNC(C)CCCC(F)(F)F)s1
InChIInChI=1S/C12H19F3N2S/c1-3-10-7-17-11(18-10)8-16-9(2)5-4-6-12(13,14)15/h7,9,16H,3-6,8H2,1-2H3
InChIKeyUDMJDSCDQUVYCV-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine (CID 104924941) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine is CCc1cnc(CNC(C)CCCC(F)(F)F)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine?
The InChIKey is UDMJDSCDQUVYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-3-10-7-17-11(18-10)8-16-9(2)5-4-6-12(13,14)15/h7,9,16H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine has a molecular weight of 280.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 104924941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).