2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

C16H17N3O2S2 — CID 2462270

IUPAC2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)CSCCO)n1
InChIInChI=1S/C16H17N3O2S2/c1-10-15(11-4-2-3-5-12(11)17-10)13-8-23-16(18-13)19-14(21)9-22-7-6-20/h2-5,8,17,20H,6-7,9H2,1H3,(H,18,19,21)
InChIKeyITNXGHDUSCXABR-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.26
Rot. Bonds6

About 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2462270) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID2462270
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)CSCCO)n1
InChIInChI=1S/C16H17N3O2S2/c1-10-15(11-4-2-3-5-12(11)17-10)13-8-23-16(18-13)19-14(21)9-22-7-6-20/h2-5,8,17,20H,6-7,9H2,1H3,(H,18,19,21)
InChIKeyITNXGHDUSCXABR-UHFFFAOYSA-N
XLogP3.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 2462270) is 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CSCCO)n1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ITNXGHDUSCXABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-10-15(11-4-2-3-5-12(11)17-10)13-8-23-16(18-13)19-14(21)9-22-7-6-20/h2-5,8,17,20H,6-7,9H2,1H3,(H,18,19,21).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 347.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2462270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).