4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole

C17H24N4S — CID 70734501

IUPAC4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCC(C)=CCN1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C17H24N4S/c1-14(2)3-7-20-8-4-15(5-9-20)17-18-6-10-21(17)11-16-12-22-13-19-16/h3,6,10,12-13,15H,4-5,7-9,11H2,1-2H3
InChIKeyQTWYYOLWKKKJRP-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.53
Rot. Bonds5

About 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole

4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 70734501) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID70734501
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCC(C)=CCN1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C17H24N4S/c1-14(2)3-7-20-8-4-15(5-9-20)17-18-6-10-21(17)11-16-12-22-13-19-16/h3,6,10,12-13,15H,4-5,7-9,11H2,1-2H3
InChIKeyQTWYYOLWKKKJRP-UHFFFAOYSA-N
XLogP3.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53552959
4-Methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 56778657
N,N-dimethyl-2-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}butanamide
CID 70712040
2,5-dimethyl-3-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrazine
CID 70735220
1-[3-(methylthio)propanoyl]-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70746515
1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70750163
1-(1-pyrrolidinylcarbonyl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70750908
1-[(methylthio)acetyl]-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70771709
3-(1-isopropyl-1H-imidazol-2-yl)-1-(1,3-thiazol-4-ylmethyl)piperidine
CID 72847349
5-[[3-[[1-(Cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 124046116
4-[[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99825630
4-[[(1R,5S)-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,3-thiazole
CID 164636663

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 70734501) is 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole is CC(C)=CCN1CCC(c2nccn2Cc2cscn2)CC1.
What is the InChIKey of 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is QTWYYOLWKKKJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-14(2)3-7-20-8-4-15(5-9-20)17-18-6-10-21(17)11-16-12-22-13-19-16/h3,6,10,12-13,15H,4-5,7-9,11H2,1-2H3.
What are the key properties of 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70734501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).