5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride

C11H22ClN3OS — CID 115587033

IUPAC5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
SMILESCCOCCCNCc1cnc(N(C)C)s1.Cl
InChIInChI=1S/C11H21N3OS.ClH/c1-4-15-7-5-6-12-8-10-9-13-11(16-10)14(2)3;/h9,12H,4-8H2,1-3H3;1H
InChIKeyITPCPKOUNLWKPJ-UHFFFAOYSA-N
MW279.84 g/mol
LogP2.15
Rot. Bonds8

About 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride

5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 115587033) has the molecular formula C11H22ClN3OS and a molecular weight of 279.84 g/mol. Its IUPAC name is 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID115587033
Molecular FormulaC11H22ClN3OS
Molecular Weight279.84 g/mol
Exact Mass279.12
IUPAC Name5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
SMILESCCOCCCNCc1cnc(N(C)C)s1.Cl
InChIInChI=1S/C11H21N3OS.ClH/c1-4-15-7-5-6-12-8-10-9-13-11(16-10)14(2)3;/h9,12H,4-8H2,1-3H3;1H
InChIKeyITPCPKOUNLWKPJ-UHFFFAOYSA-N
XLogP2.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethyl-5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 53626923
N-[5-(diethylaminomethyl)-1,3-thiazol-2-yl]acetamide
CID 22170819
N-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 59190850
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112013
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112014
N-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112589
N,N-diethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-1,3-thiazol-2-amine
CID 61809300
5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750612
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750613
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750616
N-ethyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752517

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride (CID 115587033) is 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride is CCOCCCNCc1cnc(N(C)C)s1.Cl.
What is the InChIKey of 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ITPCPKOUNLWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS.ClH/c1-4-15-7-5-6-12-8-10-9-13-11(16-10)14(2)3;/h9,12H,4-8H2,1-3H3;1H.
What are the key properties of 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride?
5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 115587033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).