N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

C14H19Cl2N5OS — CID 119941131

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H17N5OS.2ClH/c20-14(7-12-9-21-6-4-16-12)18-11-1-2-13(17-8-11)19-5-3-15-10-19;;/h1-3,5,8,10,12,16H,4,6-7,9H2,(H,18,20);2*1H
InChIKeyXCZHNCUIQZPEPF-UHFFFAOYSA-N
MW376.31 g/mol
LogP2.14
Rot. Bonds4

About N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941131) has the molecular formula C14H19Cl2N5OS and a molecular weight of 376.31 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941131
Molecular FormulaC14H19Cl2N5OS
Molecular Weight376.31 g/mol
Exact Mass375.07
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H17N5OS.2ClH/c20-14(7-12-9-21-6-4-16-12)18-11-1-2-13(17-8-11)19-5-3-15-10-19;;/h1-3,5,8,10,12,16H,4,6-7,9H2,(H,18,20);2*1H
InChIKeyXCZHNCUIQZPEPF-UHFFFAOYSA-N
XLogP2.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941058
N-(6-imidazol-1-yl-3-pyridinyl)-2-morpholin-2-ylacetamide;dihydrochloride
CID 119846852
2-(cyclopropylmethylamino)-N-(6-imidazol-1-yl-3-pyridinyl)acetamide
CID 60867461
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203
N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119941075
N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941281
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936833
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935848
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941131) is N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is XCZHNCUIQZPEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS.2ClH/c20-14(7-12-9-21-6-4-16-12)18-11-1-2-13(17-8-11)19-5-3-15-10-19;;/h1-3,5,8,10,12,16H,4,6-7,9H2,(H,18,20);2*1H.
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 376.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).