[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone

C12H23N3O2S — CID 54874273

IUPAC[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCOCCN1CCCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C12H23N3O2S/c1-17-8-7-14-3-2-4-15(6-5-14)12(16)11-9-18-10-13-11/h11,13H,2-10H2,1H3
InChIKeyAFJFIKAFAKGYQO-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.17
Rot. Bonds4

About [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 54874273) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID54874273
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCOCCN1CCCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C12H23N3O2S/c1-17-8-7-14-3-2-4-15(6-5-14)12(16)11-9-18-10-13-11/h11,13H,2-10H2,1H3
InChIKeyAFJFIKAFAKGYQO-UHFFFAOYSA-N
XLogP-0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-thiomorpholin-3-ylmethanone
CID 82909244
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 114428564
1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 54916318
(4,4-difluoropyrrolidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 120954846
3,3-dimethyl-1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110809460
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119838929
2-methyl-1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297836
N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119861381
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322524
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838539

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 54874273) is [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone is COCCN1CCCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is AFJFIKAFAKGYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-17-8-7-14-3-2-4-15(6-5-14)12(16)11-9-18-10-13-11/h11,13H,2-10H2,1H3.
What are the key properties of [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 273.40 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 54874273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).