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

C13H22F3N3S — CID 62768002

IUPAC4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C
InChIInChI=1S/C13H22F3N3S/c1-6-17-7-9-10(12(2,3)4)18-11(20-9)19(5)8-13(14,15)16/h17H,6-8H2,1-5H3
InChIKeyBPDCFHFPHHAVBY-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.55
Rot. Bonds5

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

4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768002) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is 4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768002
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Name4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C
InChIInChI=1S/C13H22F3N3S/c1-6-17-7-9-10(12(2,3)4)18-11(20-9)19(5)8-13(14,15)16/h17H,6-8H2,1-5H3
InChIKeyBPDCFHFPHHAVBY-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768002) is 4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCNCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is BPDCFHFPHHAVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-6-17-7-9-10(12(2,3)4)18-11(20-9)19(5)8-13(14,15)16/h17H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 309.40 g/mol, XLogP of 3.55, 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-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).