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

C10H15F3N2OS — CID 55120490

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCc1csc(CC(N)CCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N2OS/c1-7-5-17-9(15-7)4-8(14)2-3-16-6-10(11,12)13/h5,8H,2-4,6,14H2,1H3
InChIKeySVLJTJWATDRXBX-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.29
Rot. Bonds6

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

1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 55120490) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID55120490
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCc1csc(CC(N)CCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N2OS/c1-7-5-17-9(15-7)4-8(14)2-3-16-6-10(11,12)13/h5,8H,2-4,6,14H2,1H3
InChIKeySVLJTJWATDRXBX-UHFFFAOYSA-N
XLogP2.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.29
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 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 55120490) is 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is Cc1csc(CC(N)CCOCC(F)(F)F)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is SVLJTJWATDRXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-7-5-17-9(15-7)4-8(14)2-3-16-6-10(11,12)13/h5,8H,2-4,6,14H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 268.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 55120490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).