4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole

C16H12N2S2 — CID 52517778

IUPAC4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole
SMILESCc1[nH]c2ccccc2c1-c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H12N2S2/c1-10-15(12-4-2-3-5-13(12)17-10)14-9-20-16(18-14)11-6-7-19-8-11/h2-9,17H,1H3
InChIKeyMMYOSVMHICRVGR-UHFFFAOYSA-N
MW296.42 g/mol
LogP5.33
Rot. Bonds2

About 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole

4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole (PubChem CID 52517778) has the molecular formula C16H12N2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole
PubChem CID52517778
Molecular FormulaC16H12N2S2
Molecular Weight296.42 g/mol
Exact Mass296.04
IUPAC Name4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole
SMILESCc1[nH]c2ccccc2c1-c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H12N2S2/c1-10-15(12-4-2-3-5-13(12)17-10)14-9-20-16(18-14)11-6-7-19-8-11/h2-9,17H,1H3
InChIKeyMMYOSVMHICRVGR-UHFFFAOYSA-N
XLogP5.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole (CID 52517778) is 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole is Cc1[nH]c2ccccc2c1-c1csc(-c2ccsc2)n1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is MMYOSVMHICRVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S2/c1-10-15(12-4-2-3-5-13(12)17-10)14-9-20-16(18-14)11-6-7-19-8-11/h2-9,17H,1H3.
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole?
4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 296.42 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 52517778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).