N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

C14H18N4O2S — CID 131926635

IUPACN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCn1ccnc1CN(CCO)C(=O)CSc1ccncc1
InChIInChI=1S/C14H18N4O2S/c1-17-7-6-16-13(17)10-18(8-9-19)14(20)11-21-12-2-4-15-5-3-12/h2-7,19H,8-11H2,1H3
InChIKeyBQEGMUVTHOZLPC-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.93
Rot. Bonds7

About N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 131926635) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID131926635
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCn1ccnc1CN(CCO)C(=O)CSc1ccncc1
InChIInChI=1S/C14H18N4O2S/c1-17-7-6-16-13(17)10-18(8-9-19)14(20)11-21-12-2-4-15-5-3-12/h2-7,19H,8-11H2,1H3
InChIKeyBQEGMUVTHOZLPC-UHFFFAOYSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (CID 131926635) is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is Cn1ccnc1CN(CCO)C(=O)CSc1ccncc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is BQEGMUVTHOZLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17-7-6-16-13(17)10-18(8-9-19)14(20)11-21-12-2-4-15-5-3-12/h2-7,19H,8-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 306.39 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 131926635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).