2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C15H19N5OS — CID 118791257

IUPAC2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCN(c3cnccn3)CC2)s1
InChIInChI=1S/C15H19N5OS/c1-10-14(22-11(2)18-10)15(21)19-12-3-7-20(8-4-12)13-9-16-5-6-17-13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyKIRWHHRNXKQVPI-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.95
Rot. Bonds3

About 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 118791257) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID118791257
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCN(c3cnccn3)CC2)s1
InChIInChI=1S/C15H19N5OS/c1-10-14(22-11(2)18-10)15(21)19-12-3-7-20(8-4-12)13-9-16-5-6-17-13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyKIRWHHRNXKQVPI-UHFFFAOYSA-N
XLogP1.95
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 118791257) is 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCN(c3cnccn3)CC2)s1.
What is the InChIKey of 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is KIRWHHRNXKQVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-14(22-11(2)18-10)15(21)19-12-3-7-20(8-4-12)13-9-16-5-6-17-13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,21).
What are the key properties of 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118791257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).