10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C20H25N3O2S — CID 155986308

IUPAC10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCc1ncsc1CN1CCCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C20H25N3O2S/c1-16-18(26-15-21-16)12-22-10-5-8-20(9-11-22)14-23(19(24)13-25-20)17-6-3-2-4-7-17/h2-4,6-7,15H,5,8-14H2,1H3
InChIKeyJLFRPWNLXOYUNK-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.24
Rot. Bonds3

About 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155986308) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155986308
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCc1ncsc1CN1CCCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C20H25N3O2S/c1-16-18(26-15-21-16)12-22-10-5-8-20(9-11-22)14-23(19(24)13-25-20)17-6-3-2-4-7-17/h2-4,6-7,15H,5,8-14H2,1H3
InChIKeyJLFRPWNLXOYUNK-UHFFFAOYSA-N
XLogP3.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155986308) is 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is Cc1ncsc1CN1CCCC2(CC1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is JLFRPWNLXOYUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-16-18(26-15-21-16)12-22-10-5-8-20(9-11-22)14-23(19(24)13-25-20)17-6-3-2-4-7-17/h2-4,6-7,15H,5,8-14H2,1H3.
What are the key properties of 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 371.51 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155986308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).