1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride

C16H31ClN4OS — CID 120853138

IUPAC1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCOC(C)c1nc(CN2CCCN(CC(C)(C)N)CC2)cs1.Cl
InChIInChI=1S/C16H30N4OS.ClH/c1-13(21-4)15-18-14(11-22-15)10-19-6-5-7-20(9-8-19)12-16(2,3)17;/h11,13H,5-10,12,17H2,1-4H3;1H
InChIKeyPAHMQBIXVAUEJF-UHFFFAOYSA-N
MW362.97 g/mol
LogP2.52
Rot. Bonds6

About 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120853138) has the molecular formula C16H31ClN4OS and a molecular weight of 362.97 g/mol. Its IUPAC name is 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120853138
Molecular FormulaC16H31ClN4OS
Molecular Weight362.97 g/mol
Exact Mass362.19
IUPAC Name1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCOC(C)c1nc(CN2CCCN(CC(C)(C)N)CC2)cs1.Cl
InChIInChI=1S/C16H30N4OS.ClH/c1-13(21-4)15-18-14(11-22-15)10-19-6-5-7-20(9-8-19)12-16(2,3)17;/h11,13H,5-10,12,17H2,1-4H3;1H
InChIKeyPAHMQBIXVAUEJF-UHFFFAOYSA-N
XLogP2.52
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.97
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride 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-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole
CID 120853137
1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384874
4-[[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-2-[(1R)-1-methoxyethyl]-1,3-thiazole
CID 97220170
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 96535103
imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 96535101
N-(3-chloro-4-fluorophenyl)-2-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]acetamide
CID 96535025
1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388837
1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704760

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120853138) is 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride is COC(C)c1nc(CN2CCCN(CC(C)(C)N)CC2)cs1.Cl.
What is the InChIKey of 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is PAHMQBIXVAUEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4OS.ClH/c1-13(21-4)15-18-14(11-22-15)10-19-6-5-7-20(9-8-19)12-16(2,3)17;/h11,13H,5-10,12,17H2,1-4H3;1H.
What are the key properties of 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 362.97 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120853138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).