2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol

C11H19N3OS — CID 60776520

IUPAC2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1ncc(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C11H19N3OS/c1-10-12-8-11(16-10)9-14-4-2-13(3-5-14)6-7-15/h8,15H,2-7,9H2,1H3
InChIKeyKMKUHHYCMGWHDN-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.56
Rot. Bonds4

About 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 60776520) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol
PubChem CID60776520
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1ncc(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C11H19N3OS/c1-10-12-8-11(16-10)9-14-4-2-13(3-5-14)6-7-15/h8,15H,2-7,9H2,1H3
InChIKeyKMKUHHYCMGWHDN-UHFFFAOYSA-N
XLogP0.56
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol (CID 60776520) is 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol is Cc1ncc(CN2CCN(CCO)CC2)s1.
What is the InChIKey of 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is KMKUHHYCMGWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10-12-8-11(16-10)9-14-4-2-13(3-5-14)6-7-15/h8,15H,2-7,9H2,1H3.
What are the key properties of 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 241.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 60776520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).