2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

C18H27N3OS2 — CID 45250698

IUPAC2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESCC(C)c1csc(CN2CCN(Cc3cccs3)C(CCO)C2)n1
InChIInChI=1S/C18H27N3OS2/c1-14(2)17-13-24-18(19-17)12-20-6-7-21(15(10-20)5-8-22)11-16-4-3-9-23-16/h3-4,9,13-15,22H,5-8,10-12H2,1-2H3
InChIKeyKWJIGFSKWSOIPK-UHFFFAOYSA-N
MW365.57 g/mol
LogP3.40
Rot. Bonds7

About 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45250698) has the molecular formula C18H27N3OS2 and a molecular weight of 365.57 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45250698
Molecular FormulaC18H27N3OS2
Molecular Weight365.57 g/mol
Exact Mass365.16
IUPAC Name2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESCC(C)c1csc(CN2CCN(Cc3cccs3)C(CCO)C2)n1
InChIInChI=1S/C18H27N3OS2/c1-14(2)17-13-24-18(19-17)12-20-6-7-21(15(10-20)5-8-22)11-16-4-3-9-23-16/h3-4,9,13-15,22H,5-8,10-12H2,1-2H3
InChIKeyKWJIGFSKWSOIPK-UHFFFAOYSA-N
XLogP3.40
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (CID 45250698) is 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is CC(C)c1csc(CN2CCN(Cc3cccs3)C(CCO)C2)n1.
What is the InChIKey of 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is KWJIGFSKWSOIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS2/c1-14(2)17-13-24-18(19-17)12-20-6-7-21(15(10-20)5-8-22)11-16-4-3-9-23-16/h3-4,9,13-15,22H,5-8,10-12H2,1-2H3.
What are the key properties of 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 365.57 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45250698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).