2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole

C20H25N3OS — CID 141439639

IUPAC2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1nc(C)cs1
InChIInChI=1S/C20H25N3OS/c1-13-10-18(24-3)16(15-7-8-21-19(13)15)11-23-9-5-4-6-17(23)20-22-14(2)12-25-20/h7-8,10,12,17,21H,4-6,9,11H2,1-3H3
InChIKeyXKNRFYFUPKNFRE-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.98
Rot. Bonds4

About 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole

2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 141439639) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole
PubChem CID141439639
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1nc(C)cs1
InChIInChI=1S/C20H25N3OS/c1-13-10-18(24-3)16(15-7-8-21-19(13)15)11-23-9-5-4-6-17(23)20-22-14(2)12-25-20/h7-8,10,12,17,21H,4-6,9,11H2,1-3H3
InChIKeyXKNRFYFUPKNFRE-UHFFFAOYSA-N
XLogP4.98
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-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

4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]azepan-2-yl]benzoic acid
CID 90466744
2-amino-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 176939626
3-(azetidin-1-yl)-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid;ethane
CID 176939697
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 166762650
2-(difluoromethyl)-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 176842182
4-[4-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1,4-oxazecan-5-yl]benzoic acid
CID 174345665
ethane;methyl 3-(cyanomethylamino)-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoate
CID 176939939
4-[(2S)-1-[[7-[[2-[5-carboxy-2-[(2R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]anilino]cyclopropyl]methyl]-5-methoxy-1H-indol-4-yl]methyl]piperidin-2-yl]-3-(cyclopropylamino)benzoic acid
CID 176939808
4-[4-hydroxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2,3,6,7-tetrahydroazepin-2-yl]benzoic acid
CID 174348461
4-[(2S,4S)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158652
4-[(2R,4R)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158458
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole (CID 141439639) is 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole is COc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1nc(C)cs1.
What is the InChIKey of 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is XKNRFYFUPKNFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-13-10-18(24-3)16(15-7-8-21-19(13)15)11-23-9-5-4-6-17(23)20-22-14(2)12-25-20/h7-8,10,12,17,21H,4-6,9,11H2,1-3H3.
What are the key properties of 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole?
2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 355.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 141439639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).