5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one

C15H18N2O3S — CID 142663125

IUPAC5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
SMILESCOc1ccc(C2=NNC(=O)SC2)cc1OC1CCCC1
InChIInChI=1S/C15H18N2O3S/c1-19-13-7-6-10(12-9-21-15(18)17-16-12)8-14(13)20-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,18)
InChIKeyXWOPDEFLUBYEPX-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.18
Rot. Bonds4

About 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one

5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one (PubChem CID 142663125) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one.

Molecular Properties

Compound Name5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
PubChem CID142663125
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
SMILESCOc1ccc(C2=NNC(=O)SC2)cc1OC1CCCC1
InChIInChI=1S/C15H18N2O3S/c1-19-13-7-6-10(12-9-21-15(18)17-16-12)8-14(13)20-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,18)
InChIKeyXWOPDEFLUBYEPX-UHFFFAOYSA-N
XLogP3.18
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
CID 13365850
5-[3-methoxy-4-(1,1,2,2,2-pentachloroethoxy)phenyl]-3,6-dihydro-1,3,4-thiadiazin-2-one
CID 19106536
4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
CID 25133793
4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopent-2-en-1-ol
CID 18957483
4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 139664304
piperazin-2-yl N-[4-[[5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]-N-ethylcarbamate
CID 175240708
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
3-(3-cyclopentyloxy-4-methoxyphenyl)-7-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 59550970
methyl (5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 10640392
3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde
CID 57160895

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
The IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one (CID 142663125) is 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one.
What is the SMILES notation for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
The canonical SMILES for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one is COc1ccc(C2=NNC(=O)SC2)cc1OC1CCCC1.
What is the InChIKey of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
The InChIKey is XWOPDEFLUBYEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-19-13-7-6-10(12-9-21-15(18)17-16-12)8-14(13)20-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one has a molecular weight of 306.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one is sourced from PubChem (CID 142663125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).