(5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H20N6OS — CID 46960928

IUPAC(5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)cn1
InChIInChI=1S/C19H20N6OS/c1-12-9-22-16(10-21-12)19(26)25-7-4-14(5-8-25)18-24-13(2)17(27-18)15-3-6-20-11-23-15/h3,6,9-11,14H,4-5,7-8H2,1-2H3
InChIKeyAJDLKJFHZFINLE-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.03
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 46960928) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID46960928
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name(5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)cn1
InChIInChI=1S/C19H20N6OS/c1-12-9-22-16(10-21-12)19(26)25-7-4-14(5-8-25)18-24-13(2)17(27-18)15-3-6-20-11-23-15/h3,6,9-11,14H,4-5,7-8H2,1-2H3
InChIKeyAJDLKJFHZFINLE-UHFFFAOYSA-N
XLogP3.03
TPSA84.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 46960928) is (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is AJDLKJFHZFINLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-12-9-22-16(10-21-12)19(26)25-7-4-14(5-8-25)18-24-13(2)17(27-18)15-3-6-20-11-23-15/h3,6,9-11,14H,4-5,7-8H2,1-2H3.
What are the key properties of (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 380.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46960928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).