1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C10H15F3N2OS — CID 82722609

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCC(C)(C)c1csc(CNOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N2OS/c1-9(2,3)7-5-17-8(15-7)4-14-16-6-10(11,12)13/h5,14H,4,6H2,1-3H3
InChIKeyAUXNGRLDFOMVGZ-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82722609) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82722609
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCC(C)(C)c1csc(CNOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N2OS/c1-9(2,3)7-5-17-8(15-7)4-14-16-6-10(11,12)13/h5,14H,4,6H2,1-3H3
InChIKeyAUXNGRLDFOMVGZ-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-Tert-butyl-1,3-thiazol-2-yl)methanamine
CID 4274577
1-[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]methanaminehydrochloride
CID 155943707
[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]methanamine
CID 84767600
2,2-Dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61336912
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 80306486
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 80306887
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 80309695
1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710636
1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82710766
1-(2-ethyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82721520
1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722727
[4-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]methanamine
CID 84766684

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82722609) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine is CC(C)(C)c1csc(CNOCC(F)(F)F)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is AUXNGRLDFOMVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-9(2,3)7-5-17-8(15-7)4-14-16-6-10(11,12)13/h5,14H,4,6H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 268.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82722609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).