N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine

C16H23N3S — CID 64543756

IUPACN-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(CC)c2ccc(C)cc2)n1
InChIInChI=1S/C16H23N3S/c1-5-17-13(4)15-11-20-16(18-15)19(6-2)14-9-7-12(3)8-10-14/h7-11,13,17H,5-6H2,1-4H3
InChIKeyHYNJXYKZFYPVIL-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.28
Rot. Bonds6

About N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine

N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 64543756) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID64543756
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(CC)c2ccc(C)cc2)n1
InChIInChI=1S/C16H23N3S/c1-5-17-13(4)15-11-20-16(18-15)19(6-2)14-9-7-12(3)8-10-14/h7-11,13,17H,5-6H2,1-4H3
InChIKeyHYNJXYKZFYPVIL-UHFFFAOYSA-N
XLogP4.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 64543756) is N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is CCNC(C)c1csc(N(CC)c2ccc(C)cc2)n1.
What is the InChIKey of N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is HYNJXYKZFYPVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-17-13(4)15-11-20-16(18-15)19(6-2)14-9-7-12(3)8-10-14/h7-11,13,17H,5-6H2,1-4H3.
What are the key properties of N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(ethylamino)ethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64543756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).