5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine

C11H21N3S — CID 62751349

IUPAC5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C11H21N3S/c1-5-7-14(6-2)11-13-9(4)10(15-11)8(3)12/h8H,5-7,12H2,1-4H3
InChIKeyVZQDPLBLZCEWBJ-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.71
Rot. Bonds5

About 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 62751349) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID62751349
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C11H21N3S/c1-5-7-14(6-2)11-13-9(4)10(15-11)8(3)12/h8H,5-7,12H2,1-4H3
InChIKeyVZQDPLBLZCEWBJ-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine (CID 62751349) is 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(CC)c1nc(C)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is VZQDPLBLZCEWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-7-14(6-2)11-13-9(4)10(15-11)8(3)12/h8H,5-7,12H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62751349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).