5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C13H21F3N2OS — CID 143994940

IUPAC5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCN(CCOC)c1nc(C(F)(F)F)c(C(C)(C)C)s1
InChIInChI=1S/C13H21F3N2OS/c1-6-18(7-8-19-5)11-17-9(13(14,15)16)10(20-11)12(2,3)4/h6-8H2,1-5H3
InChIKeyVHIITNXDMKUIAN-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.93
Rot. Bonds5

About 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 143994940) has the molecular formula C13H21F3N2OS and a molecular weight of 310.39 g/mol. Its IUPAC name is 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID143994940
Molecular FormulaC13H21F3N2OS
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCN(CCOC)c1nc(C(F)(F)F)c(C(C)(C)C)s1
InChIInChI=1S/C13H21F3N2OS/c1-6-18(7-8-19-5)11-17-9(13(14,15)16)10(20-11)12(2,3)4/h6-8H2,1-5H3
InChIKeyVHIITNXDMKUIAN-UHFFFAOYSA-N
XLogP3.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 143994940) is 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is CCN(CCOC)c1nc(C(F)(F)F)c(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is VHIITNXDMKUIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2OS/c1-6-18(7-8-19-5)11-17-9(13(14,15)16)10(20-11)12(2,3)4/h6-8H2,1-5H3.
What are the key properties of 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 310.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143994940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).