[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone

C14H21N3O2S — CID 134714404

IUPAC[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCCN(Cc2cncs2)CC1
InChIInChI=1S/C14H21N3O2S/c18-14(13-3-1-8-19-13)17-5-2-4-16(6-7-17)10-12-9-15-11-20-12/h9,11,13H,1-8,10H2/t13-/m1/s1
InChIKeyMWNJZHHHHBIORW-CYBMUJFWSA-N
MW295.41 g/mol
LogP1.36
Rot. Bonds3

About [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone

[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 134714404) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
PubChem CID134714404
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCCN(Cc2cncs2)CC1
InChIInChI=1S/C14H21N3O2S/c18-14(13-3-1-8-19-13)17-5-2-4-16(6-7-17)10-12-9-15-11-20-12/h9,11,13H,1-8,10H2/t13-/m1/s1
InChIKeyMWNJZHHHHBIORW-CYBMUJFWSA-N
XLogP1.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

oxolan-3-yl-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 137338980
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95323209
[4-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95311750
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51963972
oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704589
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94163832

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone (CID 134714404) is [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone is O=C([C@H]1CCCO1)N1CCCN(Cc2cncs2)CC1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is MWNJZHHHHBIORW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-14(13-3-1-8-19-13)17-5-2-4-16(6-7-17)10-12-9-15-11-20-12/h9,11,13H,1-8,10H2/t13-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone?
[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 295.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134714404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).