3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol

C11H20N2OS — CID 115688722

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1nc(C)c(C)s1
InChIInChI=1S/C11H20N2OS/c1-4-13(6-5-7-14)8-11-12-9(2)10(3)15-11/h14H,4-8H2,1-3H3
InChIKeyOHCDDMRFKAEFNT-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.96
Rot. Bonds6

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol (PubChem CID 115688722) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol
PubChem CID115688722
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1nc(C)c(C)s1
InChIInChI=1S/C11H20N2OS/c1-4-13(6-5-7-14)8-11-12-9(2)10(3)15-11/h14H,4-8H2,1-3H3
InChIKeyOHCDDMRFKAEFNT-UHFFFAOYSA-N
XLogP1.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol (CID 115688722) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol is CCN(CCCO)Cc1nc(C)c(C)s1.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol?
The InChIKey is OHCDDMRFKAEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-13(6-5-7-14)8-11-12-9(2)10(3)15-11/h14H,4-8H2,1-3H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 115688722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).