5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole

C21H26N4S — CID 134512745

IUPAC5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole
SMILESCC(C)c1cnc(C(C)(C)c2ccc(C(C)(C)c3cncs3)cn2)cn1
InChIInChI=1S/C21H26N4S/c1-14(2)16-10-25-18(11-23-16)21(5,6)17-8-7-15(9-24-17)20(3,4)19-12-22-13-26-19/h7-14H,1-6H3
InChIKeyPWDXDJXIMRXKTR-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.10
Rot. Bonds5

About 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole

5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole (PubChem CID 134512745) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole
PubChem CID134512745
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole
SMILESCC(C)c1cnc(C(C)(C)c2ccc(C(C)(C)c3cncs3)cn2)cn1
InChIInChI=1S/C21H26N4S/c1-14(2)16-10-25-18(11-23-16)21(5,6)17-8-7-15(9-24-17)20(3,4)19-12-22-13-26-19/h7-14H,1-6H3
InChIKeyPWDXDJXIMRXKTR-UHFFFAOYSA-N
XLogP5.10
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole (CID 134512745) is 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole is CC(C)c1cnc(C(C)(C)c2ccc(C(C)(C)c3cncs3)cn2)cn1.
What is the InChIKey of 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole?
The InChIKey is PWDXDJXIMRXKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S/c1-14(2)16-10-25-18(11-23-16)21(5,6)17-8-7-15(9-24-17)20(3,4)19-12-22-13-26-19/h7-14H,1-6H3.
What are the key properties of 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole?
5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole has a molecular weight of 366.53 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[2-(5-propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 134512745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).