N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

C15H20Cl2N4OS — CID 119941058

IUPACN-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C15H18N4OS.2ClH/c20-15(9-12-10-21-8-6-17-12)18-13-3-1-2-4-14(13)19-7-5-16-11-19;;/h1-5,7,11-12,17H,6,8-10H2,(H,18,20);2*1H
InChIKeyODHZLUCYUKIKKS-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.75
Rot. Bonds4

About N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941058) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941058
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C15H18N4OS.2ClH/c20-15(9-12-10-21-8-6-17-12)18-13-3-1-2-4-14(13)19-7-5-16-11-19;;/h1-5,7,11-12,17H,6,8-10H2,(H,18,20);2*1H
InChIKeyODHZLUCYUKIKKS-UHFFFAOYSA-N
XLogP2.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941131
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941383
N-(2-imidazol-1-ylphenyl)-2-piperidin-3-ylacetamide
CID 62677033
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
CID 119941733
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941058) is N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1ccccc1-n1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is ODHZLUCYUKIKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.2ClH/c20-15(9-12-10-21-8-6-17-12)18-13-3-1-2-4-14(13)19-7-5-16-11-19;;/h1-5,7,11-12,17H,6,8-10H2,(H,18,20);2*1H.
What are the key properties of N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 375.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).