5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H22F3N3S — CID 62766987

IUPAC5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1nc(C)c(CNC(C)(C)C)s1
InChIInChI=1S/C13H22F3N3S/c1-6-19(8-13(14,15)16)11-18-9(2)10(20-11)7-17-12(3,4)5/h17H,6-8H2,1-5H3
InChIKeyHOLZPHAXQQWTNX-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.73
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62766987) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62766987
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Name5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1nc(C)c(CNC(C)(C)C)s1
InChIInChI=1S/C13H22F3N3S/c1-6-19(8-13(14,15)16)11-18-9(2)10(20-11)7-17-12(3,4)5/h17H,6-8H2,1-5H3
InChIKeyHOLZPHAXQQWTNX-UHFFFAOYSA-N
XLogP3.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62766987) is 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCN(CC(F)(F)F)c1nc(C)c(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is HOLZPHAXQQWTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-6-19(8-13(14,15)16)11-18-9(2)10(20-11)7-17-12(3,4)5/h17H,6-8H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 309.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).