2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide

C23H25ClN2O5S — CID 3172936

IUPAC2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C23H25ClN2O5S/c1-28-12-4-11-26(22(27)14-31-17-7-5-16(24)6-8-17)23-25-20(15-32-23)19-13-18(29-2)9-10-21(19)30-3/h5-10,13,15H,4,11-12,14H2,1-3H3
InChIKeyZTCABVKXHHUWQU-UHFFFAOYSA-N
MW476.98 g/mol
LogP4.93
Rot. Bonds11

About 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide

2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 3172936) has the molecular formula C23H25ClN2O5S and a molecular weight of 476.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
PubChem CID3172936
Molecular FormulaC23H25ClN2O5S
Molecular Weight476.98 g/mol
Exact Mass476.12
IUPAC Name2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C23H25ClN2O5S/c1-28-12-4-11-26(22(27)14-31-17-7-5-16(24)6-8-17)23-25-20(15-32-23)19-13-18(29-2)9-10-21(19)30-3/h5-10,13,15H,4,11-12,14H2,1-3H3
InChIKeyZTCABVKXHHUWQU-UHFFFAOYSA-N
XLogP4.93
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3172978
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
CID 171700082
3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7124348
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylcyclopropanecarboxamide
CID 861950
2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 171667903
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
4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 861947
5-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 3172966
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138623
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138529
2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44922965

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide (CID 3172936) is 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide is COCCCN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is ZTCABVKXHHUWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5S/c1-28-12-4-11-26(22(27)14-31-17-7-5-16(24)6-8-17)23-25-20(15-32-23)19-13-18(29-2)9-10-21(19)30-3/h5-10,13,15H,4,11-12,14H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide?
2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 476.98 g/mol, XLogP of 4.93, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 3172936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).