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

C13H22F2N2OS — CID 103788012

IUPAC3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC(O)C(F)F
InChIInChI=1S/C13H22F2N2OS/c1-7(16-6-9(18)11(14)15)10-8(2)17-12(19-10)13(3,4)5/h7,9,11,16,18H,6H2,1-5H3
InChIKeyPMWHYOMBZHBIJQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.03
Rot. Bonds5

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

3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol (PubChem CID 103788012) has the molecular formula C13H22F2N2OS and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol
PubChem CID103788012
Molecular FormulaC13H22F2N2OS
Molecular Weight292.39 g/mol
Exact Mass292.14
IUPAC Name3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC(O)C(F)F
InChIInChI=1S/C13H22F2N2OS/c1-7(16-6-9(18)11(14)15)10-8(2)17-12(19-10)13(3,4)5/h7,9,11,16,18H,6H2,1-5H3
InChIKeyPMWHYOMBZHBIJQ-UHFFFAOYSA-N
XLogP3.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.03
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-difluoropropan-2-ol?
The IUPAC name of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol (CID 103788012) is 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol is Cc1nc(C(C)(C)C)sc1C(C)NCC(O)C(F)F.
What is the InChIKey of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol?
The InChIKey is PMWHYOMBZHBIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2OS/c1-7(16-6-9(18)11(14)15)10-8(2)17-12(19-10)13(3,4)5/h7,9,11,16,18H,6H2,1-5H3.
What are the key properties of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol?
3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-1,1-difluoropropan-2-ol has a molecular weight of 292.39 g/mol, XLogP of 3.03, 5 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-difluoropropan-2-ol is sourced from PubChem (CID 103788012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).