2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride

C18H25Cl2N3O3S — CID 171700082

IUPAC2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
SMILESCOc1ccc(OC)c(-c2csc(N(CCCN(C)C)C(=O)CCl)n2)c1.Cl
InChIInChI=1S/C18H24ClN3O3S.ClH/c1-21(2)8-5-9-22(17(23)11-19)18-20-15(12-26-18)14-10-13(24-3)6-7-16(14)25-4;/h6-7,10,12H,5,8-9,11H2,1-4H3;1H
InChIKeyRNRGASZOYIBELT-UHFFFAOYSA-N
MW434.39 g/mol
LogP3.77
Rot. Bonds9

About 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride

2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride (PubChem CID 171700082) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
PubChem CID171700082
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC Name2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
SMILESCOc1ccc(OC)c(-c2csc(N(CCCN(C)C)C(=O)CCl)n2)c1.Cl
InChIInChI=1S/C18H24ClN3O3S.ClH/c1-21(2)8-5-9-22(17(23)11-19)18-20-15(12-26-18)14-10-13(24-3)6-7-16(14)25-4;/h6-7,10,12H,5,8-9,11H2,1-4H3;1H
InChIKeyRNRGASZOYIBELT-UHFFFAOYSA-N
XLogP3.77
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
CID 3172936
N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3172978
5-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 3172966
3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7124348
4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 861947
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylcyclopropanecarboxamide
CID 861950
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide
CID 1138516
N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide;hydrochloride
CID 171667855
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138623
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 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride (CID 171700082) is 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride is COc1ccc(OC)c(-c2csc(N(CCCN(C)C)C(=O)CCl)n2)c1.Cl.
What is the InChIKey of 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride?
The InChIKey is RNRGASZOYIBELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S.ClH/c1-21(2)8-5-9-22(17(23)11-19)18-20-15(12-26-18)14-10-13(24-3)6-7-16(14)25-4;/h6-7,10,12H,5,8-9,11H2,1-4H3;1H.
What are the key properties of 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride?
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride has a molecular weight of 434.39 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 171700082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).