7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C14H21N5O2S2 — CID 175642947

IUPAC7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)CSc3nnc(N)s3)C2)C1=O
InChIInChI=1S/C14H21N5O2S2/c1-2-5-18-6-3-14(11(18)21)4-7-19(9-14)10(20)8-22-13-17-16-12(15)23-13/h2-9H2,1H3,(H2,15,16)
InChIKeyAXHWZBJUQFZURC-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.07
Rot. Bonds5

About 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175642947) has the molecular formula C14H21N5O2S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175642947
Molecular FormulaC14H21N5O2S2
Molecular Weight355.49 g/mol
Exact Mass355.11
IUPAC Name7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)CSc3nnc(N)s3)C2)C1=O
InChIInChI=1S/C14H21N5O2S2/c1-2-5-18-6-3-14(11(18)21)4-7-19(9-14)10(20)8-22-13-17-16-12(15)23-13/h2-9H2,1H3,(H2,15,16)
InChIKeyAXHWZBJUQFZURC-UHFFFAOYSA-N
XLogP1.07
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97204777
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 118777229
(5S)-7-(2-hydroxyethyl)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97124266
7-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642466
(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97133028
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
7-[2-(2,3-difluorophenyl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175646532
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
CID 175642967
7-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175646399
(5R)-2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97125079
1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 133110970
2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 175642947) is 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(C(=O)CSc3nnc(N)s3)C2)C1=O.
What is the InChIKey of 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is AXHWZBJUQFZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S2/c1-2-5-18-6-3-14(11(18)21)4-7-19(9-14)10(20)8-22-13-17-16-12(15)23-13/h2-9H2,1H3,(H2,15,16).
What are the key properties of 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 355.49 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175642947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).