6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C19H20F3N7S2 — CID 118239840

IUPAC6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1
InChIInChI=1S/C19H20F3N7S2/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28)
InChIKeyXYPJPYJJESLARL-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.58
Rot. Bonds5

About 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 118239840) has the molecular formula C19H20F3N7S2 and a molecular weight of 467.55 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID118239840
Molecular FormulaC19H20F3N7S2
Molecular Weight467.55 g/mol
Exact Mass467.12
IUPAC Name6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1
InChIInChI=1S/C19H20F3N7S2/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28)
InChIKeyXYPJPYJJESLARL-UHFFFAOYSA-N
XLogP3.58
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 118239840) is 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is NCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is XYPJPYJJESLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7S2/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28).
What are the key properties of 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 467.55 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 118239840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).