2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C11H17F3N2S — CID 62404464

IUPAC2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(CC(F)(F)F)sc1CNCC(C)C
InChIInChI=1S/C11H17F3N2S/c1-7(2)5-15-6-9-8(3)16-10(17-9)4-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyHMQMYANGHOYXPG-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.30
Rot. Bonds5

About 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62404464) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62404464
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(CC(F)(F)F)sc1CNCC(C)C
InChIInChI=1S/C11H17F3N2S/c1-7(2)5-15-6-9-8(3)16-10(17-9)4-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyHMQMYANGHOYXPG-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62404464) is 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is Cc1nc(CC(F)(F)F)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is HMQMYANGHOYXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-7(2)5-15-6-9-8(3)16-10(17-9)4-11(12,13)14/h7,15H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62404464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).