5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C9H14F3N3S — CID 62767315

IUPAC5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC(F)(F)F)sc1CN
InChIInChI=1S/C9H14F3N3S/c1-3-6-7(4-13)16-8(14-6)15(2)5-9(10,11)12/h3-5,13H2,1-2H3
InChIKeyRMEUUMRPJQSVFC-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.16
Rot. Bonds4

About 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62767315) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62767315
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC(F)(F)F)sc1CN
InChIInChI=1S/C9H14F3N3S/c1-3-6-7(4-13)16-8(14-6)15(2)5-9(10,11)12/h3-5,13H2,1-2H3
InChIKeyRMEUUMRPJQSVFC-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62767315) is 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)CC(F)(F)F)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is RMEUUMRPJQSVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-3-6-7(4-13)16-8(14-6)15(2)5-9(10,11)12/h3-5,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 253.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).