2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C14H13N3OS2 — CID 2153530

IUPAC2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1[nH]c2ccccc2c1SCC(=O)Nc1nccs1
InChIInChI=1S/C14H13N3OS2/c1-9-13(10-4-2-3-5-11(10)16-9)20-8-12(18)17-14-15-6-7-19-14/h2-7,16H,8H2,1H3,(H,15,17,18)
InChIKeyVGDLUEGDBRKNKL-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.66
Rot. Bonds4

About 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2153530) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2153530
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1[nH]c2ccccc2c1SCC(=O)Nc1nccs1
InChIInChI=1S/C14H13N3OS2/c1-9-13(10-4-2-3-5-11(10)16-9)20-8-12(18)17-14-15-6-7-19-14/h2-7,16H,8H2,1H3,(H,15,17,18)
InChIKeyVGDLUEGDBRKNKL-UHFFFAOYSA-N
XLogP3.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2153530) is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1[nH]c2ccccc2c1SCC(=O)Nc1nccs1.
What is the InChIKey of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VGDLUEGDBRKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-9-13(10-4-2-3-5-11(10)16-9)20-8-12(18)17-14-15-6-7-19-14/h2-7,16H,8H2,1H3,(H,15,17,18).
What are the key properties of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2153530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).