N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C12H11F3N2S — CID 133358533

IUPACN-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccsc1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H11F3N2S/c1-17(7-9-3-5-18-8-9)11-6-10(2-4-16-11)12(13,14)15/h2-6,8H,7H2,1H3
InChIKeyCSCPQZZFJVADON-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.80
Rot. Bonds3

About N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 133358533) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID133358533
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccsc1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H11F3N2S/c1-17(7-9-3-5-18-8-9)11-6-10(2-4-16-11)12(13,14)15/h2-6,8H,7H2,1H3
InChIKeyCSCPQZZFJVADON-UHFFFAOYSA-N
XLogP3.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 133358533) is N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is CN(Cc1ccsc1)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CSCPQZZFJVADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-17(7-9-3-5-18-8-9)11-6-10(2-4-16-11)12(13,14)15/h2-6,8H,7H2,1H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 272.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133358533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).