3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium

C20H30N3O3S+ — CID 7124348

IUPAC3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
SMILESCC[NH+](CC)CCCN(C(C)=O)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C20H29N3O3S/c1-6-22(7-2)11-8-12-23(15(3)24)20-21-18(14-27-20)17-13-16(25-4)9-10-19(17)26-5/h9-10,13-14H,6-8,11-12H2,1-5H3/p+1
InChIKeyFWTUXKISATUREG-UHFFFAOYSA-O
MW392.55 g/mol
LogP2.49
Rot. Bonds10

About 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium

3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium (PubChem CID 7124348) has the molecular formula C20H30N3O3S+ and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium.

Molecular Properties

Compound Name3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
PubChem CID7124348
Molecular FormulaC20H30N3O3S+
Molecular Weight392.55 g/mol
Exact Mass392.20
IUPAC Name3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
SMILESCC[NH+](CC)CCCN(C(C)=O)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C20H29N3O3S/c1-6-22(7-2)11-8-12-23(15(3)24)20-21-18(14-27-20)17-13-16(25-4)9-10-19(17)26-5/h9-10,13-14H,6-8,11-12H2,1-5H3/p+1
InChIKeyFWTUXKISATUREG-UHFFFAOYSA-O
XLogP2.49
TPSA56.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
CID 171700082
3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7130225
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylcyclopropanecarboxamide
CID 861950
N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3172978
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide
CID 1138516
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
CID 3172936
4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 861947
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 1138558
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138623
N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide;hydrochloride
CID 171667855
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138529

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium?
The IUPAC name of 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium (CID 7124348) is 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium.
What is the SMILES notation for 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium?
The canonical SMILES for 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium is CC[NH+](CC)CCCN(C(C)=O)c1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium?
The InChIKey is FWTUXKISATUREG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29N3O3S/c1-6-22(7-2)11-8-12-23(15(3)24)20-21-18(14-27-20)17-13-16(25-4)9-10-19(17)26-5/h9-10,13-14H,6-8,11-12H2,1-5H3/p+1.
What are the key properties of 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium?
3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium has a molecular weight of 392.55 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium is sourced from PubChem (CID 7124348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).