(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C15H23N5O3S2 — CID 97204777

IUPAC(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(C(=O)CSc3nnc(N)s3)C2)C1=O
InChIInChI=1S/C15H23N5O3S2/c1-23-8-7-19-5-2-3-15(12(19)22)4-6-20(10-15)11(21)9-24-14-18-17-13(16)25-14/h2-10H2,1H3,(H2,16,17)/t15-/m1/s1
InChIKeyUTKQOCIAZLYTRZ-OAHLLOKOSA-N
MW385.52 g/mol
LogP0.70
Rot. Bonds6

About (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97204777) has the molecular formula C15H23N5O3S2 and a molecular weight of 385.52 g/mol. Its IUPAC name is (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97204777
Molecular FormulaC15H23N5O3S2
Molecular Weight385.52 g/mol
Exact Mass385.12
IUPAC Name(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(C(=O)CSc3nnc(N)s3)C2)C1=O
InChIInChI=1S/C15H23N5O3S2/c1-23-8-7-19-5-2-3-15(12(19)22)4-6-20(10-15)11(21)9-24-14-18-17-13(16)25-14/h2-10H2,1H3,(H2,16,17)/t15-/m1/s1
InChIKeyUTKQOCIAZLYTRZ-OAHLLOKOSA-N
XLogP0.70
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175642947
(5R)-2-[2-(benzotriazol-2-yl)acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95722632
7-(2-methoxyethyl)-2-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226456
2-(2-amino-4-methylpyrimidine-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119070658
(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97189914
(5R)-2-(3-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42119648
7-(2-methoxyethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898036
(5R)-7-(2-methoxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97114044
9-(2-methoxyacetyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131652556
N-cyclohexyl-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45221572
(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
(5S)-2-[2-(2-ethoxyphenyl)acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97137107

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (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) is (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(C(=O)CSc3nnc(N)s3)C2)C1=O.
What is the InChIKey of (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UTKQOCIAZLYTRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N5O3S2/c1-23-8-7-19-5-2-3-15(12(19)22)4-6-20(10-15)11(21)9-24-14-18-17-13(16)25-14/h2-10H2,1H3,(H2,16,17)/t15-/m1/s1.
What are the key properties of (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 385.52 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97204777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).