(4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C21H27N3O2S — CID 3234016

IUPAC(4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(Cc4nccs4)C3)CC2)cc1
InChIInChI=1S/C21H27N3O2S/c1-26-18-5-3-17(4-6-18)20(25)24-12-8-21(9-13-24)7-2-11-23(16-21)15-19-22-10-14-27-19/h3-6,10,14H,2,7-9,11-13,15-16H2,1H3
InChIKeyFTBNTGNAFXIZQM-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.67
Rot. Bonds4

About (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

(4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 3234016) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID3234016
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name(4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(Cc4nccs4)C3)CC2)cc1
InChIInChI=1S/C21H27N3O2S/c1-26-18-5-3-17(4-6-18)20(25)24-12-8-21(9-13-24)7-2-11-23(16-21)15-19-22-10-14-27-19/h3-6,10,14H,2,7-9,11-13,15-16H2,1H3
InChIKeyFTBNTGNAFXIZQM-UHFFFAOYSA-N
XLogP3.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-[4-(1,3-Thiazol-2-ylmethyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
CID 44304402
[4-(3-Methoxybenzoyl)piperazin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 122189065
4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 24793913
(4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235097
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790488
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 24790686
N-methyl-4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 24794039
3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 24816836
N-methyl-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 24817790
N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 56668928
(4-Methoxyphenyl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3232719
4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 24791234

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 3234016) is (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is COc1ccc(C(=O)N2CCC3(CCCN(Cc4nccs4)C3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is FTBNTGNAFXIZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-26-18-5-3-17(4-6-18)20(25)24-12-8-21(9-13-24)7-2-11-23(16-21)15-19-22-10-14-27-19/h3-6,10,14H,2,7-9,11-13,15-16H2,1H3.
What are the key properties of (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
(4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 385.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 3234016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).