1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine

C11H14F3N5S — CID 166251869

IUPAC1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCCn1cc(CN(C)Cc2nc(C(F)(F)F)cs2)nn1
InChIInChI=1S/C11H14F3N5S/c1-3-19-5-8(16-17-19)4-18(2)6-10-15-9(7-20-10)11(12,13)14/h5,7H,3-4,6H2,1-2H3
InChIKeyVSGVTVXSWAFYQY-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.41
Rot. Bonds5

About 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine

1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 166251869) has the molecular formula C11H14F3N5S and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID166251869
Molecular FormulaC11H14F3N5S
Molecular Weight305.33 g/mol
Exact Mass305.09
IUPAC Name1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCCn1cc(CN(C)Cc2nc(C(F)(F)F)cs2)nn1
InChIInChI=1S/C11H14F3N5S/c1-3-19-5-8(16-17-19)4-18(2)6-10-15-9(7-20-10)11(12,13)14/h5,7H,3-4,6H2,1-2H3
InChIKeyVSGVTVXSWAFYQY-UHFFFAOYSA-N
XLogP2.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 166251869) is 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine is CCn1cc(CN(C)Cc2nc(C(F)(F)F)cs2)nn1.
What is the InChIKey of 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is VSGVTVXSWAFYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5S/c1-3-19-5-8(16-17-19)4-18(2)6-10-15-9(7-20-10)11(12,13)14/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 305.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltriazol-4-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 166251869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).