3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C13H20N4O3S — CID 74239207

IUPAC3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N1CCN(CCC(=O)Nc2nccs2)CC(O)C1
InChIInChI=1S/C13H20N4O3S/c1-10(18)17-6-5-16(8-11(19)9-17)4-2-12(20)15-13-14-3-7-21-13/h3,7,11,19H,2,4-6,8-9H2,1H3,(H,14,15,20)
InChIKeyUMVIQFTTZWPMCX-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.00
Rot. Bonds4

About 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 74239207) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID74239207
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N1CCN(CCC(=O)Nc2nccs2)CC(O)C1
InChIInChI=1S/C13H20N4O3S/c1-10(18)17-6-5-16(8-11(19)9-17)4-2-12(20)15-13-14-3-7-21-13/h3,7,11,19H,2,4-6,8-9H2,1H3,(H,14,15,20)
InChIKeyUMVIQFTTZWPMCX-UHFFFAOYSA-N
XLogP-0.00
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-hydroxypiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86217821
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 50975443
3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 91837781
3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47298454
1-[6-hydroxy-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 72858575
3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95861541
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
3-[(1S,5R)-6-[2-(dimethylamino)-2-oxoethyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 91834587
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 74239207) is 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(=O)N1CCN(CCC(=O)Nc2nccs2)CC(O)C1.
What is the InChIKey of 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UMVIQFTTZWPMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-10(18)17-6-5-16(8-11(19)9-17)4-2-12(20)15-13-14-3-7-21-13/h3,7,11,19H,2,4-6,8-9H2,1H3,(H,14,15,20).
What are the key properties of 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 312.39 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 74239207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).