(4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C20H25N3O2S — CID 3235097

IUPAC(4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-17-5-3-16(4-6-17)19(24)23-10-2-7-20(15-23)8-11-22(14-20)13-18-21-9-12-26-18/h3-6,9,12H,2,7-8,10-11,13-15H2,1H3/t20-/m0/s1
InChIKeyVPSAEROZZCBUET-FQEVSTJZSA-N
MW371.51 g/mol
LogP3.28
Rot. Bonds4

About (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3235097) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3235097
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-17-5-3-16(4-6-17)19(24)23-10-2-7-20(15-23)8-11-22(14-20)13-18-21-9-12-26-18/h3-6,9,12H,2,7-8,10-11,13-15H2,1H3/t20-/m0/s1
InChIKeyVPSAEROZZCBUET-FQEVSTJZSA-N
XLogP3.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3235097) is (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is COc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is VPSAEROZZCBUET-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-25-17-5-3-16(4-6-17)19(24)23-10-2-7-20(15-23)8-11-22(14-20)13-18-21-9-12-26-18/h3-6,9,12H,2,7-8,10-11,13-15H2,1H3/t20-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 371.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3235097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).