N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide

C20H24N4O2S — CID 162632768

IUPACN-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide
SMILESCc1nsc(N2C[C@@H](O)[C@@]3(C2)[C@H](CNC(=O)C2CC2)[C@H]3c2ccccc2)n1
InChIInChI=1S/C20H24N4O2S/c1-12-22-19(27-23-12)24-10-16(25)20(11-24)15(9-21-18(26)14-7-8-14)17(20)13-5-3-2-4-6-13/h2-6,14-17,25H,7-11H2,1H3,(H,21,26)/t15-,16-,17-,20-/m1/s1
InChIKeyITEHHGIMHNLZHJ-WOCWXWTJSA-N
MW384.51 g/mol
LogP1.95
Rot. Bonds5

About N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide

N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide (PubChem CID 162632768) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide
PubChem CID162632768
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide
SMILESCc1nsc(N2C[C@@H](O)[C@@]3(C2)[C@H](CNC(=O)C2CC2)[C@H]3c2ccccc2)n1
InChIInChI=1S/C20H24N4O2S/c1-12-22-19(27-23-12)24-10-16(25)20(11-24)15(9-21-18(26)14-7-8-14)17(20)13-5-3-2-4-6-13/h2-6,14-17,25H,7-11H2,1H3,(H,21,26)/t15-,16-,17-,20-/m1/s1
InChIKeyITEHHGIMHNLZHJ-WOCWXWTJSA-N
XLogP1.95
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclobutanecarboxamide
CID 162625773
N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162631251
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 150799132
N-cyclopropyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
CID 163345339
(3R,4S)-3-hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propylpiperidine-4-carboxylic acid
CID 163310467
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133316261
acetic acid;(1R,2S,3R,4S)-1-(hydroxymethyl)-6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol
CID 171321654
2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
CID 157019360
6-[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2,4-dimethylpyridine-3-carbonitrile
CID 163309725
N-[3-[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-3-oxopropyl]methanesulfonamide
CID 155505868
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide
CID 3963425
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide (CID 162632768) is N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide is Cc1nsc(N2C[C@@H](O)[C@@]3(C2)[C@H](CNC(=O)C2CC2)[C@H]3c2ccccc2)n1.
What is the InChIKey of N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide?
The InChIKey is ITEHHGIMHNLZHJ-WOCWXWTJSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12-22-19(27-23-12)24-10-16(25)20(11-24)15(9-21-18(26)14-7-8-14)17(20)13-5-3-2-4-6-13/h2-6,14-17,25H,7-11H2,1H3,(H,21,26)/t15-,16-,17-,20-/m1/s1.
What are the key properties of N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide?
N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide has a molecular weight of 384.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-1,2,4-thiadiazol-5-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 162632768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).