5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine

C13H25N3S — CID 55112349

IUPAC5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)C(CC)CC)s1
InChIInChI=1S/C13H25N3S/c1-6-11(7-2)16(5)13-15-9-12(17-13)10(4)14-8-3/h9-11,14H,6-8H2,1-5H3
InChIKeyZOWDBSPIZSODND-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.44
Rot. Bonds7

About 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine

5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 55112349) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID55112349
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)C(CC)CC)s1
InChIInChI=1S/C13H25N3S/c1-6-11(7-2)16(5)13-15-9-12(17-13)10(4)14-8-3/h9-11,14H,6-8H2,1-5H3
InChIKeyZOWDBSPIZSODND-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine (CID 55112349) is 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine is CCNC(C)c1cnc(N(C)C(CC)CC)s1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is ZOWDBSPIZSODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-11(7-2)16(5)13-15-9-12(17-13)10(4)14-8-3/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 55112349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).