[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C15H28N4OS — CID 79396952

IUPAC[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N2CCN(CCN(C)C)CC2)sc1CO
InChIInChI=1S/C15H28N4OS/c1-12(2)14-13(11-20)21-15(16-14)19-9-7-18(8-10-19)6-5-17(3)4/h12,20H,5-11H2,1-4H3
InChIKeyXGPBJBFQKAAQCN-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.44
Rot. Bonds6

About [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79396952) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79396952
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N2CCN(CCN(C)C)CC2)sc1CO
InChIInChI=1S/C15H28N4OS/c1-12(2)14-13(11-20)21-15(16-14)19-9-7-18(8-10-19)6-5-17(3)4/h12,20H,5-11H2,1-4H3
InChIKeyXGPBJBFQKAAQCN-UHFFFAOYSA-N
XLogP1.44
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79396952) is [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N2CCN(CCN(C)C)CC2)sc1CO.
What is the InChIKey of [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is XGPBJBFQKAAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-12(2)14-13(11-20)21-15(16-14)19-9-7-18(8-10-19)6-5-17(3)4/h12,20H,5-11H2,1-4H3.
What are the key properties of [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 312.48 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79396952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).