5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine

C17H20N4O2S2 — CID 1108286

IUPAC5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNc2nc(-c3sc(N)nc3C)cs2)cc1OC
InChIInChI=1S/C17H20N4O2S2/c1-10-15(25-16(18)20-10)12-9-24-17(21-12)19-7-6-11-4-5-13(22-2)14(8-11)23-3/h4-5,8-9H,6-7H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyGUMVJZGQTWCKFZ-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.83
Rot. Bonds7

About 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine

5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 1108286) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID1108286
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNc2nc(-c3sc(N)nc3C)cs2)cc1OC
InChIInChI=1S/C17H20N4O2S2/c1-10-15(25-16(18)20-10)12-9-24-17(21-12)19-7-6-11-4-5-13(22-2)14(8-11)23-3/h4-5,8-9H,6-7H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyGUMVJZGQTWCKFZ-UHFFFAOYSA-N
XLogP3.83
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Propyl-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 60202621
2-[({5-Ethyl-2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 72706087
5-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenol
CID 73292861
Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
CID 956331
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 1092442
2-({[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)pyrimidine-4,6-diamine
CID 38570018
1-[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963393
N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 4791502
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8961860
4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-2-thiazolamine
CID 973120

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 1108286) is 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(CCNc2nc(-c3sc(N)nc3C)cs2)cc1OC.
What is the InChIKey of 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GUMVJZGQTWCKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-10-15(25-16(18)20-10)12-9-24-17(21-12)19-7-6-11-4-5-13(22-2)14(8-11)23-3/h4-5,8-9H,6-7H2,1-3H3,(H2,18,20)(H,19,21).
What are the key properties of 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 376.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1108286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).