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

C18H25ClN3OS+ — CID 7130225

IUPAC3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
SMILESCC[NH+](CC)CCCN(C(C)=O)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H24ClN3OS/c1-4-21(5-2)11-6-12-22(14(3)23)18-20-17(13-24-18)15-7-9-16(19)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3/p+1
InChIKeyLTTRBODJZLWDCV-UHFFFAOYSA-O
MW366.94 g/mol
LogP3.13
Rot. Bonds8

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

3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium (PubChem CID 7130225) has the molecular formula C18H25ClN3OS+ and a molecular weight of 366.94 g/mol. Its IUPAC name is 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium.

Molecular Properties

Compound Name3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
PubChem CID7130225
Molecular FormulaC18H25ClN3OS+
Molecular Weight366.94 g/mol
Exact Mass366.14
IUPAC Name3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
SMILESCC[NH+](CC)CCCN(C(C)=O)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H24ClN3OS/c1-4-21(5-2)11-6-12-22(14(3)23)18-20-17(13-24-18)15-7-9-16(19)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3/p+1
InChIKeyLTTRBODJZLWDCV-UHFFFAOYSA-O
XLogP3.13
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium
CID 7130226
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
3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7124348
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-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(2-methylbenzoyl)amino]propyl-dimethylazanium
CID 7130234
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-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
CID 1175967
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium?
The IUPAC name of 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium (CID 7130225) is 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium.
What is the SMILES notation for 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium?
The canonical SMILES for 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium is CC[NH+](CC)CCCN(C(C)=O)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium?
The InChIKey is LTTRBODJZLWDCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24ClN3OS/c1-4-21(5-2)11-6-12-22(14(3)23)18-20-17(13-24-18)15-7-9-16(19)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3/p+1.
What are the key properties of 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium?
3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium has a molecular weight of 366.94 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium is sourced from PubChem (CID 7130225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).