2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole

C17H24N4O2S2 — CID 110095264

IUPAC2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)Cc1ncc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C17H24N4O2S2/c1-12(2)10-15-20-11-14(24-15)17-16(18-6-7-19-17)13-4-8-21(9-5-13)25(3,22)23/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyNAWCAQCTMHCDRX-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole

2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole (PubChem CID 110095264) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole
PubChem CID110095264
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)Cc1ncc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C17H24N4O2S2/c1-12(2)10-15-20-11-14(24-15)17-16(18-6-7-19-17)13-4-8-21(9-5-13)25(3,22)23/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyNAWCAQCTMHCDRX-UHFFFAOYSA-N
XLogP2.94
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole (CID 110095264) is 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole is CC(C)Cc1ncc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)s1.
What is the InChIKey of 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole?
The InChIKey is NAWCAQCTMHCDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-12(2)10-15-20-11-14(24-15)17-16(18-6-7-19-17)13-4-8-21(9-5-13)25(3,22)23/h6-7,11-13H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole?
2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole has a molecular weight of 380.54 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 110095264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).