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

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Related Compounds

3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]propan-1-ol
CID 115674914
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
N-(2-bromoethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 80690180
N-(2-bromoethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488347
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 106841669
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 82102705
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol
CID 115666454
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133525
2-(diethylaminomethyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427411
azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole
CID 164661711

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).