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

C13H11N3OS — CID 2107455

IUPAC2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1nccs1
InChIInChI=1S/C13H11N3OS/c17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11/h1-6,8,15H,7H2,(H,14,16,17)
InChIKeyZHWRNSWZLULTES-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.81
Rot. Bonds3

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

2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2107455) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2107455
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1nccs1
InChIInChI=1S/C13H11N3OS/c17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11/h1-6,8,15H,7H2,(H,14,16,17)
InChIKeyZHWRNSWZLULTES-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Indole, 3-(N-2-thiazolylformimidoyl)-
CID 135403056
indole-based 6-membered lactam, (R)-4b
CID 15604766
Indole-based 6-membered lactam, 3b
CID 44143545
1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
CID 9857574
4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 804966
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
CID 2174681
Indole-based 6-membered lactam, 3e
CID 44143547
Indole-based 6-membered lactam, 4f
CID 44143552
Indole-based 7-membered lactam, 23b
CID 44143559
Indole-based 6-membered lactam, 22
CID 15604761
indole-based 6-membered lactam, (S)-4b
CID 15604765
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 2117341

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 2107455) is 2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1nccs1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZHWRNSWZLULTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11/h1-6,8,15H,7H2,(H,14,16,17).
What are the key properties of 2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 257.32 g/mol, XLogP of 2.81, 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2107455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).