N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C15H29N3O2S — CID 82943284

IUPACN,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCOCCN(CCOCC)c1nc(CC)c(CNC)s1
InChIInChI=1S/C15H29N3O2S/c1-5-13-14(12-16-4)21-15(17-13)18(8-10-19-6-2)9-11-20-7-3/h16H,5-12H2,1-4H3
InChIKeyMRKRTKQCCIESQB-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.30
Rot. Bonds12

About N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 82943284) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID82943284
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCOCCN(CCOCC)c1nc(CC)c(CNC)s1
InChIInChI=1S/C15H29N3O2S/c1-5-13-14(12-16-4)21-15(17-13)18(8-10-19-6-2)9-11-20-7-3/h16H,5-12H2,1-4H3
InChIKeyMRKRTKQCCIESQB-UHFFFAOYSA-N
XLogP2.30
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62768441
N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 81067888
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 82943286
[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511117
N,4-diethyl-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62767433
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62769254
N-butan-2-yl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768131
N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62767038
N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509684
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 65486953
4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117566

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 82943284) is N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CCOCCN(CCOCC)c1nc(CC)c(CNC)s1.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is MRKRTKQCCIESQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-5-13-14(12-16-4)21-15(17-13)18(8-10-19-6-2)9-11-20-7-3/h16H,5-12H2,1-4H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 315.48 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82943284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).