4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

C15H22N4S — CID 56780360

IUPAC4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C)n(CC2CCCCN2Cc2cscn2)n1
InChIInChI=1S/C15H22N4S/c1-12-7-13(2)19(17-12)9-15-5-3-4-6-18(15)8-14-10-20-11-16-14/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeySFHHAFCYVWVXHB-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.01
Rot. Bonds4

About 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 56780360) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID56780360
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C)n(CC2CCCCN2Cc2cscn2)n1
InChIInChI=1S/C15H22N4S/c1-12-7-13(2)19(17-12)9-15-5-3-4-6-18(15)8-14-10-20-11-16-14/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeySFHHAFCYVWVXHB-UHFFFAOYSA-N
XLogP3.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 56780360) is 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cc(C)n(CC2CCCCN2Cc2cscn2)n1.
What is the InChIKey of 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is SFHHAFCYVWVXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-12-7-13(2)19(17-12)9-15-5-3-4-6-18(15)8-14-10-20-11-16-14/h7,10-11,15H,3-6,8-9H2,1-2H3.
What are the key properties of 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 290.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56780360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).