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

C20H17N3OS2 — CID 3529029

IUPAC2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1
InChIInChI=1S/C20H17N3OS2/c24-19(22-20-21-10-11-25-20)14-26-18-13-23(12-15-6-2-1-3-7-15)17-9-5-4-8-16(17)18/h1-11,13H,12,14H2,(H,21,22,24)
InChIKeyPGZBYZSNZQTPID-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.88
Rot. Bonds6

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

2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3529029) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3529029
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1
InChIInChI=1S/C20H17N3OS2/c24-19(22-20-21-10-11-25-20)14-26-18-13-23(12-15-6-2-1-3-7-15)17-9-5-4-8-16(17)18/h1-11,13H,12,14H2,(H,21,22,24)
InChIKeyPGZBYZSNZQTPID-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 3529029) is 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1.
What is the InChIKey of 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PGZBYZSNZQTPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c24-19(22-20-21-10-11-25-20)14-26-18-13-23(12-15-6-2-1-3-7-15)17-9-5-4-8-16(17)18/h1-11,13H,12,14H2,(H,21,22,24).
What are the key properties of 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3529029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).