N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

C10H15F3N2OS — CID 103148300

IUPACN-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C10H15F3N2OS/c1-14-8(6-9-15-3-5-17-9)2-4-16-7-10(11,12)13/h3,5,8,14H,2,4,6-7H2,1H3
InChIKeyDCYJOLSJXONICA-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.24
Rot. Bonds7

About N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148300) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148300
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C10H15F3N2OS/c1-14-8(6-9-15-3-5-17-9)2-4-16-7-10(11,12)13/h3,5,8,14H,2,4,6-7H2,1H3
InChIKeyDCYJOLSJXONICA-UHFFFAOYSA-N
XLogP2.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148300) is N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is CNC(CCOCC(F)(F)F)Cc1nccs1.
What is the InChIKey of N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is DCYJOLSJXONICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-14-8(6-9-15-3-5-17-9)2-4-16-7-10(11,12)13/h3,5,8,14H,2,4,6-7H2,1H3.
What are the key properties of N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 268.30 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).