2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole

C16H18N4OS — CID 77081199

IUPAC2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole
SMILESc1cc(-c2ccc(CN3CCCCC3c3nccs3)o2)[nH]n1
InChIInChI=1S/C16H18N4OS/c1-2-9-20(14(3-1)16-17-8-10-22-16)11-12-4-5-15(21-12)13-6-7-18-19-13/h4-8,10,14H,1-3,9,11H2,(H,18,19)
InChIKeyMKWOCSCSHFJKRR-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.85
Rot. Bonds4

About 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole

2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole (PubChem CID 77081199) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole
PubChem CID77081199
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole
SMILESc1cc(-c2ccc(CN3CCCCC3c3nccs3)o2)[nH]n1
InChIInChI=1S/C16H18N4OS/c1-2-9-20(14(3-1)16-17-8-10-22-16)11-12-4-5-15(21-12)13-6-7-18-19-13/h4-8,10,14H,1-3,9,11H2,(H,18,19)
InChIKeyMKWOCSCSHFJKRR-UHFFFAOYSA-N
XLogP3.85
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole (CID 77081199) is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole is c1cc(-c2ccc(CN3CCCCC3c3nccs3)o2)[nH]n1.
What is the InChIKey of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole?
The InChIKey is MKWOCSCSHFJKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-2-9-20(14(3-1)16-17-8-10-22-16)11-12-4-5-15(21-12)13-6-7-18-19-13/h4-8,10,14H,1-3,9,11H2,(H,18,19).
What are the key properties of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole?
2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole has a molecular weight of 314.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 77081199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).