4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine

C17H17F3N6S2 — CID 171356997

IUPAC4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine
SMILESCC1(N)CCN(c2nc3ncc(Sc4cccnc4C(F)(F)F)nc3s2)CC1
InChIInChI=1S/C17H17F3N6S2/c1-16(21)4-7-26(8-5-16)15-25-13-14(28-15)24-11(9-23-13)27-10-3-2-6-22-12(10)17(18,19)20/h2-3,6,9H,4-5,7-8,21H2,1H3
InChIKeyDYFHMJVRODSIBA-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.97
Rot. Bonds3

About 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine

4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine (PubChem CID 171356997) has the molecular formula C17H17F3N6S2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine
PubChem CID171356997
Molecular FormulaC17H17F3N6S2
Molecular Weight426.49 g/mol
Exact Mass426.09
IUPAC Name4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine
SMILESCC1(N)CCN(c2nc3ncc(Sc4cccnc4C(F)(F)F)nc3s2)CC1
InChIInChI=1S/C17H17F3N6S2/c1-16(21)4-7-26(8-5-16)15-25-13-14(28-15)24-11(9-23-13)27-10-3-2-6-22-12(10)17(18,19)20/h2-3,6,9H,4-5,7-8,21H2,1H3
InChIKeyDYFHMJVRODSIBA-UHFFFAOYSA-N
XLogP3.97
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine (CID 171356997) is 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine is CC1(N)CCN(c2nc3ncc(Sc4cccnc4C(F)(F)F)nc3s2)CC1.
What is the InChIKey of 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is DYFHMJVRODSIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6S2/c1-16(21)4-7-26(8-5-16)15-25-13-14(28-15)24-11(9-23-13)27-10-3-2-6-22-12(10)17(18,19)20/h2-3,6,9H,4-5,7-8,21H2,1H3.
What are the key properties of 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 426.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 171356997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).