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

C22H18N4OS — CID 166057985

IUPAC2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C22H18N4OS/c1-13-21(16-7-3-5-9-18(16)23-13)19-12-28-22(25-19)26-20(27)11-15-10-14-6-2-4-8-17(14)24-15/h2-10,12,23-24H,11H2,1H3,(H,25,26,27)
InChIKeyCRZCZRGSFYNNBF-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.26
Rot. Bonds4

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

2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 166057985) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID166057985
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C22H18N4OS/c1-13-21(16-7-3-5-9-18(16)23-13)19-12-28-22(25-19)26-20(27)11-15-10-14-6-2-4-8-17(14)24-15/h2-10,12,23-24H,11H2,1H3,(H,25,26,27)
InChIKeyCRZCZRGSFYNNBF-UHFFFAOYSA-N
XLogP5.26
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 166057985) is 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2cc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CRZCZRGSFYNNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-13-21(16-7-3-5-9-18(16)23-13)19-12-28-22(25-19)26-20(27)11-15-10-14-6-2-4-8-17(14)24-15/h2-10,12,23-24H,11H2,1H3,(H,25,26,27).
What are the key properties of 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 5.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166057985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).