N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C11H11F3N4S — CID 86795861

IUPACN-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(N)nc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H11F3N4S/c1-18(5-7-2-3-9(15)16-4-7)10-17-8(6-19-10)11(12,13)14/h2-4,6H,5H2,1H3,(H2,15,16)
InChIKeyHMEYOTNPGNNLRE-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.78
Rot. Bonds3

About N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 86795861) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID86795861
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(N)nc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H11F3N4S/c1-18(5-7-2-3-9(15)16-4-7)10-17-8(6-19-10)11(12,13)14/h2-4,6H,5H2,1H3,(H2,15,16)
InChIKeyHMEYOTNPGNNLRE-UHFFFAOYSA-N
XLogP2.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 86795861) is N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CN(Cc1ccc(N)nc1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is HMEYOTNPGNNLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-18(5-7-2-3-9(15)16-4-7)10-17-8(6-19-10)11(12,13)14/h2-4,6H,5H2,1H3,(H2,15,16).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 288.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86795861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).