2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole

C18H20N4S — CID 166247279

IUPAC2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole
SMILESc1csc(-n2cc(-c3ccc(CN4CCCCC4)cc3)cn2)n1
InChIInChI=1S/C18H20N4S/c1-2-9-21(10-3-1)13-15-4-6-16(7-5-15)17-12-20-22(14-17)18-19-8-11-23-18/h4-8,11-12,14H,1-3,9-10,13H2
InChIKeyQOWILCBOGZBIHP-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.98
Rot. Bonds4

About 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole

2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole (PubChem CID 166247279) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole
PubChem CID166247279
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole
SMILESc1csc(-n2cc(-c3ccc(CN4CCCCC4)cc3)cn2)n1
InChIInChI=1S/C18H20N4S/c1-2-9-21(10-3-1)13-15-4-6-16(7-5-15)17-12-20-22(14-17)18-19-8-11-23-18/h4-8,11-12,14H,1-3,9-10,13H2
InChIKeyQOWILCBOGZBIHP-UHFFFAOYSA-N
XLogP3.98
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
N'-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111087150
[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol
CID 136572670
3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole
CID 138045615
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
CID 62425656
actinium;[4-(chloromethyl)phenyl]methylazanide;[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
CID 158755114
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
CID 90956572
1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82242731
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole (CID 166247279) is 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole is c1csc(-n2cc(-c3ccc(CN4CCCCC4)cc3)cn2)n1.
What is the InChIKey of 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole?
The InChIKey is QOWILCBOGZBIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-2-9-21(10-3-1)13-15-4-6-16(7-5-15)17-12-20-22(14-17)18-19-8-11-23-18/h4-8,11-12,14H,1-3,9-10,13H2.
What are the key properties of 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole?
2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole has a molecular weight of 324.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 166247279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).