N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine

C13H25N3OS — CID 81067888

IUPACN-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)CCOCC)nc1CC
InChIInChI=1S/C13H25N3OS/c1-5-11-12(10-14-6-2)18-13(15-11)16(4)8-9-17-7-3/h14H,5-10H2,1-4H3
InChIKeyZNXUVDKIRZCOMK-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.29
Rot. Bonds9

About N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine

N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 81067888) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID81067888
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)CCOCC)nc1CC
InChIInChI=1S/C13H25N3OS/c1-5-11-12(10-14-6-2)18-13(15-11)16(4)8-9-17-7-3/h14H,5-10H2,1-4H3
InChIKeyZNXUVDKIRZCOMK-UHFFFAOYSA-N
XLogP2.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63727761
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 81064688
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369
4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81064695
N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 82943284
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 81067220
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63864932
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine (CID 81067888) is N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine is CCNCc1sc(N(C)CCOCC)nc1CC.
What is the InChIKey of N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is ZNXUVDKIRZCOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-11-12(10-14-6-2)18-13(15-11)16(4)8-9-17-7-3/h14H,5-10H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 81067888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).