4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3S — CID 62768001

IUPAC4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C
InChIInChI=1S/C12H20F3N3S/c1-11(2,3)9-8(6-16-4)19-10(17-9)18(5)7-12(13,14)15/h16H,6-7H2,1-5H3
InChIKeyXCCDHWWGPNUMGR-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.16
Rot. Bonds4

About 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768001) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768001
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC Name4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C
InChIInChI=1S/C12H20F3N3S/c1-11(2,3)9-8(6-16-4)19-10(17-9)18(5)7-12(13,14)15/h16H,6-7H2,1-5H3
InChIKeyXCCDHWWGPNUMGR-UHFFFAOYSA-N
XLogP3.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768001) is 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CNCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is XCCDHWWGPNUMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-11(2,3)9-8(6-16-4)19-10(17-9)18(5)7-12(13,14)15/h16H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).