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

C9H10N4OS2 — CID 686016

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1nccs1
InChIInChI=1S/C9H10N4OS2/c1-13-4-2-11-9(13)16-6-7(14)12-8-10-3-5-15-8/h2-5H,6H2,1H3,(H,10,12,14)
InChIKeyPOTLOYKEEWAVFX-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.61
Rot. Bonds4

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

2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 686016) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID686016
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1nccs1
InChIInChI=1S/C9H10N4OS2/c1-13-4-2-11-9(13)16-6-7(14)12-8-10-3-5-15-8/h2-5H,6H2,1H3,(H,10,12,14)
InChIKeyPOTLOYKEEWAVFX-UHFFFAOYSA-N
XLogP1.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.61
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-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 686016) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cn1ccnc1SCC(=O)Nc1nccs1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is POTLOYKEEWAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS2/c1-13-4-2-11-9(13)16-6-7(14)12-8-10-3-5-15-8/h2-5H,6H2,1H3,(H,10,12,14).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 254.34 g/mol, XLogP of 1.61, 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 686016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).