[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone

C19H20N6OS — CID 131933582

IUPAC[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(NCc2csc(-c3cnccn3)n2)CC1
InChIInChI=1S/C19H20N6OS/c26-19(14-1-5-20-6-2-14)25-9-3-15(4-10-25)23-11-16-13-27-18(24-16)17-12-21-7-8-22-17/h1-2,5-8,12-13,15,23H,3-4,9-11H2
InChIKeyAUMPTODYEOPUAW-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.39
Rot. Bonds5

About [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 131933582) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID131933582
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(NCc2csc(-c3cnccn3)n2)CC1
InChIInChI=1S/C19H20N6OS/c26-19(14-1-5-20-6-2-14)25-9-3-15(4-10-25)23-11-16-13-27-18(24-16)17-12-21-7-8-22-17/h1-2,5-8,12-13,15,23H,3-4,9-11H2
InChIKeyAUMPTODYEOPUAW-UHFFFAOYSA-N
XLogP2.39
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone (CID 131933582) is [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(NCc2csc(-c3cnccn3)n2)CC1.
What is the InChIKey of [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is AUMPTODYEOPUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c26-19(14-1-5-20-6-2-14)25-9-3-15(4-10-25)23-11-16-13-27-18(24-16)17-12-21-7-8-22-17/h1-2,5-8,12-13,15,23H,3-4,9-11H2.
What are the key properties of [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 380.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 131933582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).