[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone

C11H17N3O2S — CID 63309923

IUPAC[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCN(CCO)CC1
InChIInChI=1S/C11H17N3O2S/c15-7-6-13-2-1-3-14(5-4-13)11(16)10-8-17-9-12-10/h8-9,15H,1-7H2
InChIKeyBPOVUORBMXMCIY-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.28
Rot. Bonds3

About [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone

[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 63309923) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID63309923
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCN(CCO)CC1
InChIInChI=1S/C11H17N3O2S/c15-7-6-13-2-1-3-14(5-4-13)11(16)10-8-17-9-12-10/h8-9,15H,1-7H2
InChIKeyBPOVUORBMXMCIY-UHFFFAOYSA-N
XLogP0.28
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 63049420
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[4-[3-(5-methylfuran-2-yl)butyl]-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 134698395
methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate
CID 63050127
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
2-[2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914410
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 114031253
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 55143433
[(3R,5R)-3-(hydroxymethyl)-5-[(4-methyl-1,4-diazepan-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 72925229
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone (CID 63309923) is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is BPOVUORBMXMCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c15-7-6-13-2-1-3-14(5-4-13)11(16)10-8-17-9-12-10/h8-9,15H,1-7H2.
What are the key properties of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 255.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 63309923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).