2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol

C8H14N2OS — CID 10081138

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol
SMILESCc1nc(N(C)CCO)sc1C
InChIInChI=1S/C8H14N2OS/c1-6-7(2)12-8(9-6)10(3)4-5-11/h11H,4-5H2,1-3H3
InChIKeyYQSQLLGDTQXMMU-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.19
Rot. Bonds3

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol

2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol (PubChem CID 10081138) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol
PubChem CID10081138
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol
SMILESCc1nc(N(C)CCO)sc1C
InChIInChI=1S/C8H14N2OS/c1-6-7(2)12-8(9-6)10(3)4-5-11/h11H,4-5H2,1-3H3
InChIKeyYQSQLLGDTQXMMU-UHFFFAOYSA-N
XLogP1.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol (CID 10081138) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol is Cc1nc(N(C)CCO)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol?
The InChIKey is YQSQLLGDTQXMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6-7(2)12-8(9-6)10(3)4-5-11/h11H,4-5H2,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol has a molecular weight of 186.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol is sourced from PubChem (CID 10081138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).