N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide

C15H19N5OS — CID 119941158

IUPACN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nccn1-c1ncccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C15H19N5OS/c1-11-16-5-7-20(11)15-13(3-2-4-18-15)19-14(21)9-12-10-22-8-6-17-12/h2-5,7,12,17H,6,8-10H2,1H3,(H,19,21)
InChIKeyJIVIMUPGMRNKHK-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide

N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941158) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941158
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nccn1-c1ncccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C15H19N5OS/c1-11-16-5-7-20(11)15-13(3-2-4-18-15)19-14(21)9-12-10-22-8-6-17-12/h2-5,7,12,17H,6,8-10H2,1H3,(H,19,21)
InChIKeyJIVIMUPGMRNKHK-UHFFFAOYSA-N
XLogP1.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66422480
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941058
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide (CID 119941158) is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide is Cc1nccn1-c1ncccc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is JIVIMUPGMRNKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-16-5-7-20(11)15-13(3-2-4-18-15)19-14(21)9-12-10-22-8-6-17-12/h2-5,7,12,17H,6,8-10H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 317.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).