N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H16N6OS2 — CID 77087722

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1ccnc1SCCNC(=O)CSc1nncn1C
InChIInChI=1S/C11H16N6OS2/c1-16-5-3-13-10(16)19-6-4-12-9(18)7-20-11-15-14-8-17(11)2/h3,5,8H,4,6-7H2,1-2H3,(H,12,18)
InChIKeyOIYMBZXSSWKDSY-UHFFFAOYSA-N
MW312.42 g/mol
LogP0.55
Rot. Bonds7

About N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 77087722) has the molecular formula C11H16N6OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID77087722
Molecular FormulaC11H16N6OS2
Molecular Weight312.42 g/mol
Exact Mass312.08
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1ccnc1SCCNC(=O)CSc1nncn1C
InChIInChI=1S/C11H16N6OS2/c1-16-5-3-13-10(16)19-6-4-12-9(18)7-20-11-15-14-8-17(11)2/h3,5,8H,4,6-7H2,1-2H3,(H,12,18)
InChIKeyOIYMBZXSSWKDSY-UHFFFAOYSA-N
XLogP0.55
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-5-oxopentanoic acid
CID 123173965
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide
CID 77098246
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2515116
2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
CID 77090031
N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 28699058
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
CID 91843779
N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 75405791
6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide
CID 90509395
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1250957

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 77087722) is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1ccnc1SCCNC(=O)CSc1nncn1C.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is OIYMBZXSSWKDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS2/c1-16-5-3-13-10(16)19-6-4-12-9(18)7-20-11-15-14-8-17(11)2/h3,5,8H,4,6-7H2,1-2H3,(H,12,18).
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 77087722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).