(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C19H23N5O3S — CID 3234002

IUPAC(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4csnn4)C3)C2)cc1
InChIInChI=1S/C19H23N5O3S/c1-27-15-5-3-14(4-6-15)20-18(26)24-10-8-19(13-24)7-2-9-23(12-19)17(25)16-11-28-22-21-16/h3-6,11H,2,7-10,12-13H2,1H3,(H,20,26)/t19-/m1/s1
InChIKeyLVOADIHLMFZQAD-LJQANCHMSA-N
MW401.49 g/mol
LogP2.71
Rot. Bonds3

About (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234002) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234002
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4csnn4)C3)C2)cc1
InChIInChI=1S/C19H23N5O3S/c1-27-15-5-3-14(4-6-15)20-18(26)24-10-8-19(13-24)7-2-9-23(12-19)17(25)16-11-28-22-21-16/h3-6,11H,2,7-10,12-13H2,1H3,(H,20,26)/t19-/m1/s1
InChIKeyLVOADIHLMFZQAD-LJQANCHMSA-N
XLogP2.71
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
3-amino-1-[(4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107323777
N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235204
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 169490460
2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone
CID 71873411
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490459
9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 128702904
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 71679837
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
CID 97482260
(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234504
(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97396034

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3234002) is (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4csnn4)C3)C2)cc1.
What is the InChIKey of (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is LVOADIHLMFZQAD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-27-15-5-3-14(4-6-15)20-18(26)24-10-8-19(13-24)7-2-9-23(12-19)17(25)16-11-28-22-21-16/h3-6,11H,2,7-10,12-13H2,1H3,(H,20,26)/t19-/m1/s1.
What are the key properties of (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).