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

C13H12N2OS — CID 141124782

IUPAC4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(COc2cccc3[nH]ccc23)cs1
InChIInChI=1S/C13H12N2OS/c1-9-15-10(8-17-9)7-16-13-4-2-3-12-11(13)5-6-14-12/h2-6,8,14H,7H2,1H3
InChIKeyKEIVPDBFYXKDQJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.51
Rot. Bonds3

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

4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole (PubChem CID 141124782) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole
PubChem CID141124782
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(COc2cccc3[nH]ccc23)cs1
InChIInChI=1S/C13H12N2OS/c1-9-15-10(8-17-9)7-16-13-4-2-3-12-11(13)5-6-14-12/h2-6,8,14H,7H2,1H3
InChIKeyKEIVPDBFYXKDQJ-UHFFFAOYSA-N
XLogP3.51
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1H-indol-4-yloxymethyl)-2-methyl-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

2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole
CID 23042161
N-(1H-indol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110473029
3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 16769058
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60908019
4-(3-methylbutoxy)-1H-indole
CID 141124794
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126951449
N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319395
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 112614052
4-bromo-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]aniline
CID 103009149
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole (CID 141124782) is 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole is Cc1nc(COc2cccc3[nH]ccc23)cs1.
What is the InChIKey of 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole?
The InChIKey is KEIVPDBFYXKDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-15-10(8-17-9)7-16-13-4-2-3-12-11(13)5-6-14-12/h2-6,8,14H,7H2,1H3.
What are the key properties of 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole?
4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole has a molecular weight of 244.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 141124782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).