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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Related Compounds

1-(3-Imidazol-1-ylpropyl)-3-thiazol-2-yl-thiourea
CID 3003033
2-[(5-ethyl-4-methyl-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-({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-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 6472023
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 649689
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-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 754494
N-(1H-imidazol-2-yl)-1,3-thiazole-2-carboxamide
CID 21514364
2-[(3-{[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,2,4-thiadiazol-5-YL)sulfanyl]-N-(1,3-thiazol-2-YL)acetamide
CID 1989216

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).