N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine

C11H20N2OS — CID 79017643

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1nc(C)c(C)s1
InChIInChI=1S/C11H20N2OS/c1-4-14-7-5-6-12-8-11-13-9(2)10(3)15-11/h12H,4-8H2,1-3H3
InChIKeyXMZCWGNPCZJVGY-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.28
Rot. Bonds7

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine (PubChem CID 79017643) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine
PubChem CID79017643
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1nc(C)c(C)s1
InChIInChI=1S/C11H20N2OS/c1-4-14-7-5-6-12-8-11-13-9(2)10(3)15-11/h12H,4-8H2,1-3H3
InChIKeyXMZCWGNPCZJVGY-UHFFFAOYSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115567823
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 106841669
2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114127588
N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxypropan-1-amine
CID 60672423
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]hex-5-yn-1-amine
CID 106211610
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111478606
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133525
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111776588
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 178190269
3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 82102705

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine (CID 79017643) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine?
The InChIKey is XMZCWGNPCZJVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-14-7-5-6-12-8-11-13-9(2)10(3)15-11/h12H,4-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 79017643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).