4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole

C13H12N2S — CID 711824

IUPAC4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2c[nH]c3ccccc23)c(C)s1
InChIInChI=1S/C13H12N2S/c1-8-13(15-9(2)16-8)11-7-14-12-6-4-3-5-10(11)12/h3-7,14H,1-2H3
InChIKeyKARNNHWCLKLJBI-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.91
Rot. Bonds1

About 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole

4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole (PubChem CID 711824) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole
PubChem CID711824
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2c[nH]c3ccccc23)c(C)s1
InChIInChI=1S/C13H12N2S/c1-8-13(15-9(2)16-8)11-7-14-12-6-4-3-5-10(11)12/h3-7,14H,1-2H3
InChIKeyKARNNHWCLKLJBI-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole (CID 711824) is 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole is Cc1nc(-c2c[nH]c3ccccc23)c(C)s1.
What is the InChIKey of 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole?
The InChIKey is KARNNHWCLKLJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-8-13(15-9(2)16-8)11-7-14-12-6-4-3-5-10(11)12/h3-7,14H,1-2H3.
What are the key properties of 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole?
4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole has a molecular weight of 228.32 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 711824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).