4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine

C10H19N3OS — CID 64543577

IUPAC4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOCCCN(C)c1nc(C(C)N)cs1
InChIInChI=1S/C10H19N3OS/c1-8(11)9-7-15-10(12-9)13(2)5-4-6-14-3/h7-8H,4-6,11H2,1-3H3
InChIKeyRPSHZQVXTHZCHH-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.64
Rot. Bonds6

About 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine

4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 64543577) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID64543577
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOCCCN(C)c1nc(C(C)N)cs1
InChIInChI=1S/C10H19N3OS/c1-8(11)9-7-15-10(12-9)13(2)5-4-6-14-3/h7-8H,4-6,11H2,1-3H3
InChIKeyRPSHZQVXTHZCHH-UHFFFAOYSA-N
XLogP1.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.64
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 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine (CID 64543577) is 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine is COCCCN(C)c1nc(C(C)N)cs1.
What is the InChIKey of 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is RPSHZQVXTHZCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(11)9-7-15-10(12-9)13(2)5-4-6-14-3/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64543577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).