N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C14H27N3OS — CID 63691445

IUPACN-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCOCCN(CC)c1ncc(CNCC(C)C)s1
InChIInChI=1S/C14H27N3OS/c1-5-17(7-8-18-6-2)14-16-11-13(19-14)10-15-9-12(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyKZWCLNRTYKKNPK-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.75
Rot. Bonds10

About N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 63691445) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID63691445
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCOCCN(CC)c1ncc(CNCC(C)C)s1
InChIInChI=1S/C14H27N3OS/c1-5-17(7-8-18-6-2)14-16-11-13(19-14)10-15-9-12(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyKZWCLNRTYKKNPK-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.75
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-(2-ethoxyethyl)-N-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63690743
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62752928
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489079
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103081048
2-methyl-N-[[2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402711
5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115655685
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 63691445) is N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CCOCCN(CC)c1ncc(CNCC(C)C)s1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is KZWCLNRTYKKNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-5-17(7-8-18-6-2)14-16-11-13(19-14)10-15-9-12(3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 285.46 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63691445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).