N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C13H13F3N2OS — CID 43677141

IUPACN-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCc1ccc(CNc2ccc(OCC(F)(F)F)nc2)s1
InChIInChI=1S/C13H13F3N2OS/c1-9-2-4-11(20-9)7-17-10-3-5-12(18-6-10)19-8-13(14,15)16/h2-6,17H,7-8H2,1H3
InChIKeyVYWCQJFTJULZSZ-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.00
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677141) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677141
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCc1ccc(CNc2ccc(OCC(F)(F)F)nc2)s1
InChIInChI=1S/C13H13F3N2OS/c1-9-2-4-11(20-9)7-17-10-3-5-12(18-6-10)19-8-13(14,15)16/h2-6,17H,7-8H2,1H3
InChIKeyVYWCQJFTJULZSZ-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677141) is N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is Cc1ccc(CNc2ccc(OCC(F)(F)F)nc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is VYWCQJFTJULZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-9-2-4-11(20-9)7-17-10-3-5-12(18-6-10)19-8-13(14,15)16/h2-6,17H,7-8H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 302.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).