N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide

C13H19N5OS2 — CID 46983282

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)CSc1nnc(C)s1
InChIInChI=1S/C13H19N5OS2/c1-4-6-18(8-11-14-5-7-17(11)3)12(19)9-20-13-16-15-10(2)21-13/h5,7H,4,6,8-9H2,1-3H3
InChIKeyMUOZRNOQUJSDNI-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.11
Rot. Bonds7

About N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide

N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 46983282) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
PubChem CID46983282
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)CSc1nnc(C)s1
InChIInChI=1S/C13H19N5OS2/c1-4-6-18(8-11-14-5-7-17(11)3)12(19)9-20-13-16-15-10(2)21-13/h5,7H,4,6,8-9H2,1-3H3
InChIKeyMUOZRNOQUJSDNI-UHFFFAOYSA-N
XLogP2.11
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide (CID 46983282) is N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide is CCCN(Cc1nccn1C)C(=O)CSc1nnc(C)s1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is MUOZRNOQUJSDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-4-6-18(8-11-14-5-7-17(11)3)12(19)9-20-13-16-15-10(2)21-13/h5,7H,4,6,8-9H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide?
N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 325.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 46983282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).