2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C9H11N5OS2 — CID 754494

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2C)s1
InChIInChI=1S/C9H11N5OS2/c1-6-12-13-8(17-6)11-7(15)5-16-9-10-3-4-14(9)2/h3-4H,5H2,1-2H3,(H,11,13,15)
InChIKeyPKPQNEAGVWSBRB-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.31
Rot. Bonds4

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

2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 754494) has the molecular formula C9H11N5OS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID754494
Molecular FormulaC9H11N5OS2
Molecular Weight269.36 g/mol
Exact Mass269.04
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2C)s1
InChIInChI=1S/C9H11N5OS2/c1-6-12-13-8(17-6)11-7(15)5-16-9-10-3-4-14(9)2/h3-4H,5H2,1-2H3,(H,11,13,15)
InChIKeyPKPQNEAGVWSBRB-UHFFFAOYSA-N
XLogP1.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 6458326
2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6471089
2-(4-Ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 6501062
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 579610
2-({4-ethyl-5-[(ethylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-1,3-thiazol-2-ylacetamide
CID 2233239
2-{[5-methyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 6465140
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3926225
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 686016
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6471048
2-(1H-Imidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 557400
2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 60507180

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 754494) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nccn2C)s1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PKPQNEAGVWSBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-6-12-13-8(17-6)11-7(15)5-16-9-10-3-4-14(9)2/h3-4H,5H2,1-2H3,(H,11,13,15).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 269.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 754494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).