N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C18H20N4O3S — CID 8882105

IUPACN-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc3ccccc3s1)C2=O
InChIInChI=1S/C18H20N4O3S/c1-11-6-4-5-9-18(11)15(24)22(17(25)21-18)10-14(23)20-16-19-12-7-2-3-8-13(12)26-16/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,21,25)(H,19,20,23)/t11-,18+/m0/s1
InChIKeyWRTUUGHVPSVVKV-BBATYDOGSA-N
MW372.45 g/mol
LogP2.74
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 8882105) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID8882105
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc3ccccc3s1)C2=O
InChIInChI=1S/C18H20N4O3S/c1-11-6-4-5-9-18(11)15(24)22(17(25)21-18)10-14(23)20-16-19-12-7-2-3-8-13(12)26-16/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,21,25)(H,19,20,23)/t11-,18+/m0/s1
InChIKeyWRTUUGHVPSVVKV-BBATYDOGSA-N
XLogP2.74
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(5-methoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51592962
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-(2-bromophenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703598
N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 55335287
N-(1,3-benzothiazol-2-yl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8882136
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-3-ylacetamide
CID 4882227
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40881474
1,3-benzothiazol-2-ylmethyl-methyl-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]azanium
CID 9282278
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30177696
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
N-[2-(dimethylamino)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43063970

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 8882105) is N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc3ccccc3s1)C2=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is WRTUUGHVPSVVKV-BBATYDOGSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-6-4-5-9-18(11)15(24)22(17(25)21-18)10-14(23)20-16-19-12-7-2-3-8-13(12)26-16/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,21,25)(H,19,20,23)/t11-,18+/m0/s1.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 8882105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).