[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone

C24H25N3OS — CID 131661553

IUPAC[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C24H25N3OS/c28-23(22-15-29-18-25-22)27-13-11-24(17-27)10-12-26(16-24)14-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-9,15,18H,10-14,16-17H2
InChIKeyIYUCZSCHAIZYFF-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.55
Rot. Bonds4

About [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone

[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 131661553) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID131661553
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC Name[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C24H25N3OS/c28-23(22-15-29-18-25-22)27-13-11-24(17-27)10-12-26(16-24)14-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-9,15,18H,10-14,16-17H2
InChIKeyIYUCZSCHAIZYFF-UHFFFAOYSA-N
XLogP4.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R)-7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97473134
3-phenyl-1-[(5R)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 97393128
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
1,3-thiazol-4-yl-[9-(thiophen-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155849345
[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97369948
[(5S)-9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 25298423
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 52950036
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 166199211
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472463

Frequently Asked Questions

What is the IUPAC name of [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 131661553) is [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1.
What is the InChIKey of [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is IYUCZSCHAIZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c28-23(22-15-29-18-25-22)27-13-11-24(17-27)10-12-26(16-24)14-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-9,15,18H,10-14,16-17H2.
What are the key properties of [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?
[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 403.55 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131661553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).