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

C8H14N2OS — CID 79673929

IUPAC2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
SMILESCc1csc(CN(C)CCO)n1
InChIInChI=1S/C8H14N2OS/c1-7-6-12-8(9-7)5-10(2)3-4-11/h6,11H,3-5H2,1-2H3
InChIKeyCKJOZULDNLDDGO-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.88
Rot. Bonds4

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

2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol (PubChem CID 79673929) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
PubChem CID79673929
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
SMILESCc1csc(CN(C)CCO)n1
InChIInChI=1S/C8H14N2OS/c1-7-6-12-8(9-7)5-10(2)3-4-11/h6,11H,3-5H2,1-2H3
InChIKeyCKJOZULDNLDDGO-UHFFFAOYSA-N
XLogP0.88
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol (CID 79673929) is 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol is Cc1csc(CN(C)CCO)n1.
What is the InChIKey of 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The InChIKey is CKJOZULDNLDDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7-6-12-8(9-7)5-10(2)3-4-11/h6,11H,3-5H2,1-2H3.
What are the key properties of 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol has a molecular weight of 186.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 79673929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).