4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

C13H23N3OS — CID 64545176

IUPAC4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCN(c1nc(C(C)N)cs1)C(C)C1CC1
InChIInChI=1S/C13H23N3OS/c1-9(14)12-8-18-13(15-12)16(6-7-17-3)10(2)11-4-5-11/h8-11H,4-7,14H2,1-3H3
InChIKeyAONBASPJOZUKKK-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.41
Rot. Bonds7

About 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 64545176) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID64545176
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCN(c1nc(C(C)N)cs1)C(C)C1CC1
InChIInChI=1S/C13H23N3OS/c1-9(14)12-8-18-13(15-12)16(6-7-17-3)10(2)11-4-5-11/h8-11H,4-7,14H2,1-3H3
InChIKeyAONBASPJOZUKKK-UHFFFAOYSA-N
XLogP2.41
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 64545176) is 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is COCCN(c1nc(C(C)N)cs1)C(C)C1CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is AONBASPJOZUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(14)12-8-18-13(15-12)16(6-7-17-3)10(2)11-4-5-11/h8-11H,4-7,14H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64545176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).