[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C19H28N3OS+ — CID 9174296

IUPAC[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc(-c2nc(C[NH+](C)CC(=O)NC(C)C)sc2C)cc1C
InChIInChI=1S/C19H27N3OS/c1-12(2)20-17(23)10-22(6)11-18-21-19(15(5)24-18)16-8-7-13(3)14(4)9-16/h7-9,12H,10-11H2,1-6H3,(H,20,23)/p+1
InChIKeySQUNTPLGYMPQEF-UHFFFAOYSA-O
MW346.52 g/mol
LogP2.27
Rot. Bonds6

About [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9174296) has the molecular formula C19H28N3OS+ and a molecular weight of 346.52 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9174296
Molecular FormulaC19H28N3OS+
Molecular Weight346.52 g/mol
Exact Mass346.19
IUPAC Name[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc(-c2nc(C[NH+](C)CC(=O)NC(C)C)sc2C)cc1C
InChIInChI=1S/C19H27N3OS/c1-12(2)20-17(23)10-22(6)11-18-21-19(15(5)24-18)16-8-7-13(3)14(4)9-16/h7-9,12H,10-11H2,1-6H3,(H,20,23)/p+1
InChIKeySQUNTPLGYMPQEF-UHFFFAOYSA-O
XLogP2.27
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

2-(chloromethyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole
CID 116867883
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9174362
N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103043
[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9232025
2-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174315
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049037
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163851
1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 8802852
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
4-(3,4-dimethylphenyl)-2-(propanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226567
cis-(1R,2S)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1229830
2-[(dimethylamino)methyl]-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227422

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9174296) is [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is Cc1ccc(-c2nc(C[NH+](C)CC(=O)NC(C)C)sc2C)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is SQUNTPLGYMPQEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N3OS/c1-12(2)20-17(23)10-22(6)11-18-21-19(15(5)24-18)16-8-7-13(3)14(4)9-16/h7-9,12H,10-11H2,1-6H3,(H,20,23)/p+1.
What are the key properties of [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 346.52 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9174296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).