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

C14H13N3OS2 — CID 3659304

IUPAC2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1cc(SCC(=O)Nc2nccs2)c2ccccc21
InChIInChI=1S/C14H13N3OS2/c1-17-8-12(10-4-2-3-5-11(10)17)20-9-13(18)16-14-15-6-7-19-14/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyVPRQXDRHRDWCGT-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.37
Rot. Bonds4

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

2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3659304) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3659304
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1cc(SCC(=O)Nc2nccs2)c2ccccc21
InChIInChI=1S/C14H13N3OS2/c1-17-8-12(10-4-2-3-5-11(10)17)20-9-13(18)16-14-15-6-7-19-14/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyVPRQXDRHRDWCGT-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 3659304) is 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cn1cc(SCC(=O)Nc2nccs2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VPRQXDRHRDWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-17-8-12(10-4-2-3-5-11(10)17)20-9-13(18)16-14-15-6-7-19-14/h2-8H,9H2,1H3,(H,15,16,18).
What are the key properties of 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3659304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).