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

C16H25Cl2N3O3S — CID 45260762

IUPAC5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCOc1cc(CCNCCc2cnc(N)s2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C16H23N3O3S.2ClH/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);2*1H
InChIKeySPDIHMJHQQTWAW-UHFFFAOYSA-N
MW410.37 g/mol
LogP2.97
Rot. Bonds9

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

5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 45260762) has the molecular formula C16H25Cl2N3O3S and a molecular weight of 410.37 g/mol. Its IUPAC name is 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride
PubChem CID45260762
Molecular FormulaC16H25Cl2N3O3S
Molecular Weight410.37 g/mol
Exact Mass409.10
IUPAC Name5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCOc1cc(CCNCCc2cnc(N)s2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C16H23N3O3S.2ClH/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);2*1H
InChIKeySPDIHMJHQQTWAW-UHFFFAOYSA-N
XLogP2.97
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 52.97
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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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2550668
N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2091162
1-[5-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907678
Thiazole, 2-amino-5-(2,4-dimethoxyphenyl)-
CID 210993
Thiazole, 2-amino-5-(2,4,6-trimethoxyphenyl)-, hydrochloride
CID 210994
(E)-3-phenyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 178296250
(E)-N-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 178296441
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3002861
2-[(3,4,5-Trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide
CID 75446135
5-[2-[2-(3,4,5-Trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine
CID 10854450
3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 57414897
5-Phenyl-2-[(3,4,5-trimethoxybenzylidene)hydrazino]-thiazole
CID 129864912

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride (CID 45260762) is 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride is COc1cc(CCNCCc2cnc(N)s2)cc(OC)c1OC.Cl.Cl.
What is the InChIKey of 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is SPDIHMJHQQTWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.2ClH/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);2*1H.
What are the key properties of 5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride?
5-[2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 410.37 g/mol, XLogP of 2.97, 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;dihydrochloride is sourced from PubChem (CID 45260762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).