3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

C13H21F3N2OS — CID 103778700

IUPAC3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC(O)C(F)(F)F
InChIInChI=1S/C13H21F3N2OS/c1-7(17-6-9(19)13(14,15)16)10-8(2)18-11(20-10)12(3,4)5/h7,9,17,19H,6H2,1-5H3
InChIKeyDXKVZTNAPAYALS-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.32
Rot. Bonds4

About 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103778700) has the molecular formula C13H21F3N2OS and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103778700
Molecular FormulaC13H21F3N2OS
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC(O)C(F)(F)F
InChIInChI=1S/C13H21F3N2OS/c1-7(17-6-9(19)13(14,15)16)10-8(2)18-11(20-10)12(3,4)5/h7,9,17,19H,6H2,1-5H3
InChIKeyDXKVZTNAPAYALS-UHFFFAOYSA-N
XLogP3.32
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 103778700) is 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is Cc1nc(C(C)(C)C)sc1C(C)NCC(O)C(F)(F)F.
What is the InChIKey of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DXKVZTNAPAYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2OS/c1-7(17-6-9(19)13(14,15)16)10-8(2)18-11(20-10)12(3,4)5/h7,9,17,19H,6H2,1-5H3.
What are the key properties of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 310.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103778700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).