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

C14H14N2S — CID 116887642

IUPAC4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole
SMILESCc1nc(-c2c(C)[nH]c3ccccc23)sc1C
InChIInChI=1S/C14H14N2S/c1-8-10(3)17-14(16-8)13-9(2)15-12-7-5-4-6-11(12)13/h4-7,15H,1-3H3
InChIKeyWBOQLKCMTCKRFT-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.22
Rot. Bonds1

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

4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole (PubChem CID 116887642) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole
PubChem CID116887642
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole
SMILESCc1nc(-c2c(C)[nH]c3ccccc23)sc1C
InChIInChI=1S/C14H14N2S/c1-8-10(3)17-14(16-8)13-9(2)15-12-7-5-4-6-11(12)13/h4-7,15H,1-3H3
InChIKeyWBOQLKCMTCKRFT-UHFFFAOYSA-N
XLogP4.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-5-yl]hydrazine
CID 116887806
[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892094
4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 166058003
4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136822328
4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole
CID 52517778
4-(4,5-dimethyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one
CID 57409199
4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 67553522
4-(2-methyl-1H-indol-3-yl)quinoline
CID 745072
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
CID 54590193
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
CID 116884405

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole (CID 116887642) is 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole is Cc1nc(-c2c(C)[nH]c3ccccc23)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole?
The InChIKey is WBOQLKCMTCKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-8-10(3)17-14(16-8)13-9(2)15-12-7-5-4-6-11(12)13/h4-7,15H,1-3H3.
What are the key properties of 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole?
4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole has a molecular weight of 242.35 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 116887642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).