2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C15H14N4OS2 — CID 866695

IUPAC2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1
InChIInChI=1S/C15H14N4OS2/c1-11-3-2-4-12(9-11)19-7-5-17-15(19)22-10-13(20)18-14-16-6-8-21-14/h2-9H,10H2,1H3,(H,16,18,20)
InChIKeyXFIAEOYIIPZYTP-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.37
Rot. Bonds5

About 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 866695) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID866695
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1
InChIInChI=1S/C15H14N4OS2/c1-11-3-2-4-12(9-11)19-7-5-17-15(19)22-10-13(20)18-14-16-6-8-21-14/h2-9H,10H2,1H3,(H,16,18,20)
InChIKeyXFIAEOYIIPZYTP-UHFFFAOYSA-N
XLogP3.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 866695) is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XFIAEOYIIPZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-11-3-2-4-12(9-11)19-7-5-17-15(19)22-10-13(20)18-14-16-6-8-21-14/h2-9H,10H2,1H3,(H,16,18,20).
What are the key properties of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 330.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 866695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).