4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride

C18H28ClN5OS — CID 118741665

IUPAC4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride
SMILESCl.c1nc(N2CCOCC2)sc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C18H27N5OS.ClH/c1-2-5-21(6-3-1)7-4-8-23-15-19-13-16(23)17-14-20-18(25-17)22-9-11-24-12-10-22;/h13-15H,1-12H2;1H
InChIKeyCWHSOWPPVZKTCD-UHFFFAOYSA-N
MW397.98 g/mol
LogP3.14
Rot. Bonds6

About 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride

4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride (PubChem CID 118741665) has the molecular formula C18H28ClN5OS and a molecular weight of 397.98 g/mol. Its IUPAC name is 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride
PubChem CID118741665
Molecular FormulaC18H28ClN5OS
Molecular Weight397.98 g/mol
Exact Mass397.17
IUPAC Name4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride
SMILESCl.c1nc(N2CCOCC2)sc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C18H27N5OS.ClH/c1-2-5-21(6-3-1)7-4-8-23-15-19-13-16(23)17-14-20-18(25-17)22-9-11-24-12-10-22;/h13-15H,1-12H2;1H
InChIKeyCWHSOWPPVZKTCD-UHFFFAOYSA-N
XLogP3.14
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.98
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride?
The IUPAC name of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride (CID 118741665) is 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride is Cl.c1nc(N2CCOCC2)sc1-c1cncn1CCCN1CCCCC1.
What is the InChIKey of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride?
The InChIKey is CWHSOWPPVZKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS.ClH/c1-2-5-21(6-3-1)7-4-8-23-15-19-13-16(23)17-14-20-18(25-17)22-9-11-24-12-10-22;/h13-15H,1-12H2;1H.
What are the key properties of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride?
4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride has a molecular weight of 397.98 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine;hydrochloride is sourced from PubChem (CID 118741665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).