5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole

C15H20N4S — CID 125023963

IUPAC5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)N1CCC[C@H](c2cncc(-c3cncs3)n2)C1
InChIInChI=1S/C15H20N4S/c1-11(2)19-5-3-4-12(9-19)13-6-16-7-14(18-13)15-8-17-10-20-15/h6-8,10-12H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyZCAAMFQIJNWKSA-LBPRGKRZSA-N
MW288.42 g/mol
LogP3.19
Rot. Bonds3

About 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole

5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole (PubChem CID 125023963) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
PubChem CID125023963
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)N1CCC[C@H](c2cncc(-c3cncs3)n2)C1
InChIInChI=1S/C15H20N4S/c1-11(2)19-5-3-4-12(9-19)13-6-16-7-14(18-13)15-8-17-10-20-15/h6-8,10-12H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyZCAAMFQIJNWKSA-LBPRGKRZSA-N
XLogP3.19
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole (CID 125023963) is 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole is CC(C)N1CCC[C@H](c2cncc(-c3cncs3)n2)C1.
What is the InChIKey of 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The InChIKey is ZCAAMFQIJNWKSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4S/c1-11(2)19-5-3-4-12(9-19)13-6-16-7-14(18-13)15-8-17-10-20-15/h6-8,10-12H,3-5,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 125023963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).