N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C18H24ClN3O3S2 — CID 119940107

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(CN(C(=O)CC2CSCCN2)c2nccs2)c(OC)c1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-23-15-4-3-13(16(10-15)24-2)11-21(18-20-6-8-26-18)17(22)9-14-12-25-7-5-19-14;/h3-4,6,8,10,14,19H,5,7,9,11-12H2,1-2H3;1H
InChIKeyZOZWLNFFQWETKW-UHFFFAOYSA-N
MW430.00 g/mol
LogP3.21
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940107) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940107
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(CN(C(=O)CC2CSCCN2)c2nccs2)c(OC)c1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-23-15-4-3-13(16(10-15)24-2)11-21(18-20-6-8-26-18)17(22)9-14-12-25-7-5-19-14;/h3-4,6,8,10,14,19H,5,7,9,11-12H2,1-2H3;1H
InChIKeyZOZWLNFFQWETKW-UHFFFAOYSA-N
XLogP3.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637099
cis-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 96523719
4-amino-N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120593724
N-[(2,4-dimethoxyphenyl)methyl]-4-(methylamino)-N-(1,3-thiazol-2-yl)butanamide
CID 119809960
(2S,5R)-5-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795485
N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935581
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936476
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
2-(2,5-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 78865572
N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
CID 82916253

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940107) is N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccc(CN(C(=O)CC2CSCCN2)c2nccs2)c(OC)c1.Cl.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is ZOZWLNFFQWETKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c1-23-15-4-3-13(16(10-15)24-2)11-21(18-20-6-8-26-18)17(22)9-14-12-25-7-5-19-14;/h3-4,6,8,10,14,19H,5,7,9,11-12H2,1-2H3;1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).