3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium

C19H27ClN3OS+ — CID 7130226

IUPAC3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium
SMILESCCC(=O)N(CCC[NH+](CC)CC)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H26ClN3OS/c1-4-18(24)23(13-7-12-22(5-2)6-3)19-21-17(14-25-19)15-8-10-16(20)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3/p+1
InChIKeyORKONTGGSCIKMV-UHFFFAOYSA-O
MW380.97 g/mol
LogP3.52
Rot. Bonds9

About 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium (PubChem CID 7130226) has the molecular formula C19H27ClN3OS+ and a molecular weight of 380.97 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium
PubChem CID7130226
Molecular FormulaC19H27ClN3OS+
Molecular Weight380.97 g/mol
Exact Mass380.16
IUPAC Name3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium
SMILESCCC(=O)N(CCC[NH+](CC)CC)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H26ClN3OS/c1-4-18(24)23(13-7-12-22(5-2)6-3)19-21-17(14-25-19)15-8-10-16(20)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3/p+1
InChIKeyORKONTGGSCIKMV-UHFFFAOYSA-O
XLogP3.52
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.97
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7130225
3-[(2-chloroacetyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-diethylazanium
CID 7124819
diethyl-[3-[(2-methylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl]azanium
CID 7124820
2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 171667903
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
CID 1175983
3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7124348
N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 3189574
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(2-methylbenzoyl)amino]propyl-dimethylazanium
CID 7130234
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3173561
3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3189544
N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667861

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium?
The IUPAC name of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium (CID 7130226) is 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium?
The canonical SMILES for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium is CCC(=O)N(CCC[NH+](CC)CC)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium?
The InChIKey is ORKONTGGSCIKMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26ClN3OS/c1-4-18(24)23(13-7-12-22(5-2)6-3)19-21-17(14-25-19)15-8-10-16(20)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3/p+1.
What are the key properties of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium?
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium has a molecular weight of 380.97 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium is sourced from PubChem (CID 7130226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).