4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole

C21H30N4OS — CID 120853137

IUPAC4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole
SMILESCOC(C)c1nc(CN2CCCN(Cc3cccc4c3NCC4)CC2)cs1
InChIInChI=1S/C21H30N4OS/c1-16(26-2)21-23-19(15-27-21)14-25-10-4-9-24(11-12-25)13-18-6-3-5-17-7-8-22-20(17)18/h3,5-6,15-16,22H,4,7-14H2,1-2H3
InChIKeyAJHHNPRLZBRACM-UHFFFAOYSA-N
MW386.57 g/mol
LogP3.53
Rot. Bonds6

About 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole

4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole (PubChem CID 120853137) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole
PubChem CID120853137
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole
SMILESCOC(C)c1nc(CN2CCCN(Cc3cccc4c3NCC4)CC2)cs1
InChIInChI=1S/C21H30N4OS/c1-16(26-2)21-23-19(15-27-21)14-25-10-4-9-24(11-12-25)13-18-6-3-5-17-7-8-22-20(17)18/h3,5-6,15-16,22H,4,7-14H2,1-2H3
InChIKeyAJHHNPRLZBRACM-UHFFFAOYSA-N
XLogP3.53
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole with MolForge

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Related Compounds

7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 114327008
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120847704
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792
7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849963
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole?
The IUPAC name of 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole (CID 120853137) is 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole is COC(C)c1nc(CN2CCCN(Cc3cccc4c3NCC4)CC2)cs1.
What is the InChIKey of 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole?
The InChIKey is AJHHNPRLZBRACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-16(26-2)21-23-19(15-27-21)14-25-10-4-9-24(11-12-25)13-18-6-3-5-17-7-8-22-20(17)18/h3,5-6,15-16,22H,4,7-14H2,1-2H3.
What are the key properties of 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole?
4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole has a molecular weight of 386.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole is sourced from PubChem (CID 120853137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).