(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole

C16H27N5S — CID 96558661

IUPAC(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1CN=C(N2CCN(CCCCCn3cccn3)CC2)S1
InChIInChI=1S/C16H27N5S/c1-15-14-17-16(22-15)20-12-10-19(11-13-20)7-3-2-4-8-21-9-5-6-18-21/h5-6,9,15H,2-4,7-8,10-14H2,1H3/t15-/m0/s1
InChIKeyXZQMBPXSIUNWMO-HNNXBMFYSA-N
MW321.49 g/mol
LogP2.16
Rot. Bonds6

About (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole

(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 96558661) has the molecular formula C16H27N5S and a molecular weight of 321.49 g/mol. Its IUPAC name is (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID96558661
Molecular FormulaC16H27N5S
Molecular Weight321.49 g/mol
Exact Mass321.20
IUPAC Name(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1CN=C(N2CCN(CCCCCn3cccn3)CC2)S1
InChIInChI=1S/C16H27N5S/c1-15-14-17-16(22-15)20-12-10-19(11-13-20)7-3-2-4-8-21-9-5-6-18-21/h5-6,9,15H,2-4,7-8,10-14H2,1H3/t15-/m0/s1
InChIKeyXZQMBPXSIUNWMO-HNNXBMFYSA-N
XLogP2.16
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole (CID 96558661) is (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole is C[C@H]1CN=C(N2CCN(CCCCCn3cccn3)CC2)S1.
What is the InChIKey of (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is XZQMBPXSIUNWMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N5S/c1-15-14-17-16(22-15)20-12-10-19(11-13-20)7-3-2-4-8-21-9-5-6-18-21/h5-6,9,15H,2-4,7-8,10-14H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 321.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 96558661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).