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

C14H22F3N3S — CID 62768176

IUPAC4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C14H22F3N3S/c1-13(2,3)11-10(7-18-9-5-6-9)21-12(19-11)20(4)8-14(15,16)17/h9,18H,5-8H2,1-4H3
InChIKeyWYJJDOGJZVEPBM-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.69
Rot. Bonds5

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

4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768176) has the molecular formula C14H22F3N3S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768176
Molecular FormulaC14H22F3N3S
Molecular Weight321.41 g/mol
Exact Mass321.15
IUPAC Name4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C14H22F3N3S/c1-13(2,3)11-10(7-18-9-5-6-9)21-12(19-11)20(4)8-14(15,16)17/h9,18H,5-8H2,1-4H3
InChIKeyWYJJDOGJZVEPBM-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768176) is 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CN(CC(F)(F)F)c1nc(C(C)(C)C)c(CNC2CC2)s1.
What is the InChIKey of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is WYJJDOGJZVEPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3S/c1-13(2,3)11-10(7-18-9-5-6-9)21-12(19-11)20(4)8-14(15,16)17/h9,18H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 321.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).