5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine

C8H15N3S — CID 50988945

IUPAC5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CCN
InChIInChI=1S/C8H15N3S/c1-6-7(4-5-9)12-8(10-6)11(2)3/h4-5,9H2,1-3H3
InChIKeyKSOZXLJHJRLKAF-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.02
Rot. Bonds3

About 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine

5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine (PubChem CID 50988945) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
PubChem CID50988945
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CCN
InChIInChI=1S/C8H15N3S/c1-6-7(4-5-9)12-8(10-6)11(2)3/h4-5,9H2,1-3H3
InChIKeyKSOZXLJHJRLKAF-UHFFFAOYSA-N
XLogP1.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine (CID 50988945) is 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)C)sc1CCN.
What is the InChIKey of 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The InChIKey is KSOZXLJHJRLKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-7(4-5-9)12-8(10-6)11(2)3/h4-5,9H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 50988945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).