N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine

C14H16F3N3OS — CID 133337740

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCOC(C)c1nc(CN(C)c2cccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C14H16F3N3OS/c1-9(21-3)13-18-10(8-22-13)7-20(2)12-6-4-5-11(19-12)14(15,16)17/h4-6,8-9H,7H2,1-3H3
InChIKeyLPYDFKACKYIEKH-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.90
Rot. Bonds5

About N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 133337740) has the molecular formula C14H16F3N3OS and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID133337740
Molecular FormulaC14H16F3N3OS
Molecular Weight331.36 g/mol
Exact Mass331.10
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCOC(C)c1nc(CN(C)c2cccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C14H16F3N3OS/c1-9(21-3)13-18-10(8-22-13)7-20(2)12-6-4-5-11(19-12)14(15,16)17/h4-6,8-9H,7H2,1-3H3
InChIKeyLPYDFKACKYIEKH-UHFFFAOYSA-N
XLogP3.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine (CID 133337740) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine is COC(C)c1nc(CN(C)c2cccc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LPYDFKACKYIEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3OS/c1-9(21-3)13-18-10(8-22-13)7-20(2)12-6-4-5-11(19-12)14(15,16)17/h4-6,8-9H,7H2,1-3H3.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 331.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133337740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).