5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine

C16H23N3O3S — CID 10854450

IUPAC5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine
SMILESCOc1cc(CCNCCc2cnc(N)s2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O3S/c1-20-13-8-11(9-14(21-2)15(13)22-3)4-6-18-7-5-12-10-19-16(17)23-12/h8-10,18H,4-7H2,1-3H3,(H2,17,19)
InChIKeyKHHQAWYGAVNFEH-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.13
Rot. Bonds9

About 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine

5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine (PubChem CID 10854450) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine
PubChem CID10854450
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine
SMILESCOc1cc(CCNCCc2cnc(N)s2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O3S/c1-20-13-8-11(9-14(21-2)15(13)22-3)4-6-18-7-5-12-10-19-16(17)23-12/h8-10,18H,4-7H2,1-3H3,(H2,17,19)
InChIKeyKHHQAWYGAVNFEH-UHFFFAOYSA-N
XLogP2.13
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine (CID 10854450) is 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine is COc1cc(CCNCCc2cnc(N)s2)cc(OC)c1OC.
What is the InChIKey of 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is KHHQAWYGAVNFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-20-13-8-11(9-14(21-2)15(13)22-3)4-6-18-7-5-12-10-19-16(17)23-12/h8-10,18H,4-7H2,1-3H3,(H2,17,19).
What are the key properties of 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine?
5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 337.45 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 10854450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).