1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine

C14H16F3N3S — CID 84588992

IUPAC1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
SMILESCc1cnc(CCNC(Cc2ccncc2)C(F)(F)F)s1
InChIInChI=1S/C14H16F3N3S/c1-10-9-20-13(21-10)4-7-19-12(14(15,16)17)8-11-2-5-18-6-3-11/h2-3,5-6,9,12,19H,4,7-8H2,1H3
InChIKeyWKEWRKJXFRVEPI-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.15
Rot. Bonds6

About 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine

1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine (PubChem CID 84588992) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
PubChem CID84588992
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
SMILESCc1cnc(CCNC(Cc2ccncc2)C(F)(F)F)s1
InChIInChI=1S/C14H16F3N3S/c1-10-9-20-13(21-10)4-7-19-12(14(15,16)17)8-11-2-5-18-6-3-11/h2-3,5-6,9,12,19H,4,7-8H2,1H3
InChIKeyWKEWRKJXFRVEPI-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine (CID 84588992) is 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine is Cc1cnc(CCNC(Cc2ccncc2)C(F)(F)F)s1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine?
The InChIKey is WKEWRKJXFRVEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c1-10-9-20-13(21-10)4-7-19-12(14(15,16)17)8-11-2-5-18-6-3-11/h2-3,5-6,9,12,19H,4,7-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine?
1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine has a molecular weight of 315.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 84588992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).