2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide

C20H19N3OS2 — CID 71795403

IUPAC2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C20H19N3OS2/c1-13-18(26-20(22-13)17-8-5-9-25-17)11-21-19(24)10-14-12-23(2)16-7-4-3-6-15(14)16/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyJLZNJOIACYQCEP-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.53
Rot. Bonds5

About 2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide

2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 71795403) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID71795403
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC Name2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C20H19N3OS2/c1-13-18(26-20(22-13)17-8-5-9-25-17)11-21-19(24)10-14-12-23(2)16-7-4-3-6-15(14)16/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyJLZNJOIACYQCEP-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.53
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)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide (CID 71795403) is 2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide is Cc1nc(-c2cccs2)sc1CNC(=O)Cc1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is JLZNJOIACYQCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-13-18(26-20(22-13)17-8-5-9-25-17)11-21-19(24)10-14-12-23(2)16-7-4-3-6-15(14)16/h3-9,12H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide?
2-(1-methylindol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 381.53 g/mol, XLogP of 4.53, 5 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)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 71795403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).