1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

C11H17N3O2S — CID 97121644

IUPAC1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cscn2)C[C@@H](O)C1
InChIInChI=1S/C11H17N3O2S/c1-9(15)14-3-2-13(5-11(16)6-14)4-10-7-17-8-12-10/h7-8,11,16H,2-6H2,1H3/t11-/m1/s1
InChIKeyLWNNPLRSHZZYRT-LLVKDONJSA-N
MW255.34 g/mol
LogP0.17
Rot. Bonds2

About 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 97121644) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
PubChem CID97121644
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cscn2)C[C@@H](O)C1
InChIInChI=1S/C11H17N3O2S/c1-9(15)14-3-2-13(5-11(16)6-14)4-10-7-17-8-12-10/h7-8,11,16H,2-6H2,1H3/t11-/m1/s1
InChIKeyLWNNPLRSHZZYRT-LLVKDONJSA-N
XLogP0.17
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[(6S)-4-acetyl-6-hydroxy-1,4-diazepan-1-yl]methyl]thiophen-2-yl]ethanone
CID 97128212
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
1-[6-hydroxy-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 72858575
(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 47025132
1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone
CID 97097657
methyl 3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanoate
CID 78982405
(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol
CID 95766441
1-[6-hydroxy-4-[(2-methyl-1-benzothiophen-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 72907590
[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 95582058
3-methyl-4-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]benzoic acid
CID 146143211
1-[1-(1,3-thiazol-4-ylmethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310698
(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155828

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone (CID 97121644) is 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCN(Cc2cscn2)C[C@@H](O)C1.
What is the InChIKey of 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is LWNNPLRSHZZYRT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9(15)14-3-2-13(5-11(16)6-14)4-10-7-17-8-12-10/h7-8,11,16H,2-6H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone?
1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 255.34 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 97121644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).