N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C15H29N3OS — CID 63690382

IUPACN-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(CC)CCOCC)nc1C
InChIInChI=1S/C15H29N3OS/c1-6-9-16-12(4)14-13(5)17-15(20-14)18(7-2)10-11-19-8-3/h12,16H,6-11H2,1-5H3
InChIKeyZONZPRIWDUFPDN-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.37
Rot. Bonds10

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

N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 63690382) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID63690382
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(CC)CCOCC)nc1C
InChIInChI=1S/C15H29N3OS/c1-6-9-16-12(4)14-13(5)17-15(20-14)18(7-2)10-11-19-8-3/h12,16H,6-11H2,1-5H3
InChIKeyZONZPRIWDUFPDN-UHFFFAOYSA-N
XLogP3.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 63690382) is N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1sc(N(CC)CCOCC)nc1C.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is ZONZPRIWDUFPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-6-9-16-12(4)14-13(5)17-15(20-14)18(7-2)10-11-19-8-3/h12,16H,6-11H2,1-5H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 299.48 g/mol, XLogP of 3.37, 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-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63690382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).