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

C10H12N4OS2 — CID 6472023

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nccn2C)n1
InChIInChI=1S/C10H12N4OS2/c1-7-5-16-9(12-7)13-8(15)6-17-10-11-3-4-14(10)2/h3-5H,6H2,1-2H3,(H,12,13,15)
InChIKeyMBHSRGZHXVUKHL-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.92
Rot. Bonds4

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

2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 6472023) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID6472023
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nccn2C)n1
InChIInChI=1S/C10H12N4OS2/c1-7-5-16-9(12-7)13-8(15)6-17-10-11-3-4-14(10)2/h3-5H,6H2,1-2H3,(H,12,13,15)
InChIKeyMBHSRGZHXVUKHL-UHFFFAOYSA-N
XLogP1.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 6472023) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2nccn2C)n1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MBHSRGZHXVUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-7-5-16-9(12-7)13-8(15)6-17-10-11-3-4-14(10)2/h3-5H,6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 268.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6472023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).