5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole

C20H26N4S — CID 126510386

IUPAC5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole
SMILESCC(C)c1ccnc(CC(C)c2cnc(CC(C)c3cn[nH]c3)s2)c1
InChIInChI=1S/C20H26N4S/c1-13(2)16-5-6-21-18(9-16)7-15(4)19-12-22-20(25-19)8-14(3)17-10-23-24-11-17/h5-6,9-15H,7-8H2,1-4H3,(H,23,24)
InChIKeyFFSLULYJIZUJEN-UHFFFAOYSA-N
MW354.52 g/mol
LogP5.08
Rot. Bonds7

About 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole

5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole (PubChem CID 126510386) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole
PubChem CID126510386
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Name5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole
SMILESCC(C)c1ccnc(CC(C)c2cnc(CC(C)c3cn[nH]c3)s2)c1
InChIInChI=1S/C20H26N4S/c1-13(2)16-5-6-21-18(9-16)7-15(4)19-12-22-20(25-19)8-14(3)17-10-23-24-11-17/h5-6,9-15H,7-8H2,1-4H3,(H,23,24)
InChIKeyFFSLULYJIZUJEN-UHFFFAOYSA-N
XLogP5.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole?
The IUPAC name of 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole (CID 126510386) is 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole.
What is the SMILES notation for 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole?
The canonical SMILES for 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole is CC(C)c1ccnc(CC(C)c2cnc(CC(C)c3cn[nH]c3)s2)c1.
What is the InChIKey of 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole?
The InChIKey is FFSLULYJIZUJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S/c1-13(2)16-5-6-21-18(9-16)7-15(4)19-12-22-20(25-19)8-14(3)17-10-23-24-11-17/h5-6,9-15H,7-8H2,1-4H3,(H,23,24).
What are the key properties of 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole?
5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole has a molecular weight of 354.52 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole is sourced from PubChem (CID 126510386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).