2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol

C19H27FN4OS — CID 70745701

IUPAC2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)c1nnsc1CN1CCN(Cc2ccc(F)cc2)C(CCO)C1
InChIInChI=1S/C19H27FN4OS/c1-14(2)19-18(26-22-21-19)13-23-8-9-24(17(12-23)7-10-25)11-15-3-5-16(20)6-4-15/h3-6,14,17,25H,7-13H2,1-2H3
InChIKeyJJIGCRDSKKNKGZ-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.87
Rot. Bonds7

About 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 70745701) has the molecular formula C19H27FN4OS and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol
PubChem CID70745701
Molecular FormulaC19H27FN4OS
Molecular Weight378.52 g/mol
Exact Mass378.19
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)c1nnsc1CN1CCN(Cc2ccc(F)cc2)C(CCO)C1
InChIInChI=1S/C19H27FN4OS/c1-14(2)19-18(26-22-21-19)13-23-8-9-24(17(12-23)7-10-25)11-15-3-5-16(20)6-4-15/h3-6,14,17,25H,7-13H2,1-2H3
InChIKeyJJIGCRDSKKNKGZ-UHFFFAOYSA-N
XLogP2.87
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 70745701) is 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol is CC(C)c1nnsc1CN1CCN(Cc2ccc(F)cc2)C(CCO)C1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JJIGCRDSKKNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4OS/c1-14(2)19-18(26-22-21-19)13-23-8-9-24(17(12-23)7-10-25)11-15-3-5-16(20)6-4-15/h3-6,14,17,25H,7-13H2,1-2H3.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 378.52 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 70745701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).