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

C8H14N2OS — CID 64542069

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESCc1nc(C)c(CNCCO)s1
InChIInChI=1S/C8H14N2OS/c1-6-8(5-9-3-4-11)12-7(2)10-6/h9,11H,3-5H2,1-2H3
InChIKeyPHDNNYYGFCCBMU-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.84
Rot. Bonds4

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

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 64542069) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol
PubChem CID64542069
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESCc1nc(C)c(CNCCO)s1
InChIInChI=1S/C8H14N2OS/c1-6-8(5-9-3-4-11)12-7(2)10-6/h9,11H,3-5H2,1-2H3
InChIKeyPHDNNYYGFCCBMU-UHFFFAOYSA-N
XLogP0.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol (CID 64542069) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol is Cc1nc(C)c(CNCCO)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol?
The InChIKey is PHDNNYYGFCCBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6-8(5-9-3-4-11)12-7(2)10-6/h9,11H,3-5H2,1-2H3.
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 186.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 64542069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).