[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium

C19H23N2O2S2+ — CID 8804426

IUPAC[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCOc1ccc(-c2nc(C[NH+](C)Cc3sccc3C)cs2)cc1OC
InChIInChI=1S/C19H22N2O2S2/c1-13-7-8-24-18(13)11-21(2)10-15-12-25-19(20-15)14-5-6-16(22-3)17(9-14)23-4/h5-9,12H,10-11H2,1-4H3/p+1
InChIKeyBWKQVCQHVAOGRU-UHFFFAOYSA-O
MW375.54 g/mol
LogP3.41
Rot. Bonds7

About [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium (PubChem CID 8804426) has the molecular formula C19H23N2O2S2+ and a molecular weight of 375.54 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium
PubChem CID8804426
Molecular FormulaC19H23N2O2S2+
Molecular Weight375.54 g/mol
Exact Mass375.12
IUPAC Name[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCOc1ccc(-c2nc(C[NH+](C)Cc3sccc3C)cs2)cc1OC
InChIInChI=1S/C19H22N2O2S2/c1-13-7-8-24-18(13)11-21(2)10-15-12-25-19(20-15)14-5-6-16(22-3)17(9-14)23-4/h5-9,12H,10-11H2,1-4H3/p+1
InChIKeyBWKQVCQHVAOGRU-UHFFFAOYSA-O
XLogP3.41
TPSA35.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
2-(3,4-dimethoxyphenyl)-4-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]-1,3-thiazole
CID 7468441
2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18707228
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
CID 8558646
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235380
2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole
CID 75464211
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 55450669
N-[[2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55039282
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 42915613

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium (CID 8804426) is [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium is COc1ccc(-c2nc(C[NH+](C)Cc3sccc3C)cs2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The InChIKey is BWKQVCQHVAOGRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O2S2/c1-13-7-8-24-18(13)11-21(2)10-15-12-25-19(20-15)14-5-6-16(22-3)17(9-14)23-4/h5-9,12H,10-11H2,1-4H3/p+1.
What are the key properties of [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium has a molecular weight of 375.54 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8804426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).