2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C14H13N3OS — CID 2114820

IUPAC2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C14H13N3OS/c1-9-7-16-14(19-9)17-13(18)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,7-8,15H,6H2,1H3,(H,16,17,18)
InChIKeyOPCSLLCSWLGPJK-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.11
Rot. Bonds3

About 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2114820) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2114820
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C14H13N3OS/c1-9-7-16-14(19-9)17-13(18)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,7-8,15H,6H2,1H3,(H,16,17,18)
InChIKeyOPCSLLCSWLGPJK-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 2114820) is 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OPCSLLCSWLGPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-7-16-14(19-9)17-13(18)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,7-8,15H,6H2,1H3,(H,16,17,18).
What are the key properties of 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 271.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2114820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).