5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one

C17H24N2O2S — CID 110830821

IUPAC5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one
SMILESCCCN(CCC)Cc1sc(=O)[nH]c1-c1cccc(OC)c1
InChIInChI=1S/C17H24N2O2S/c1-4-9-19(10-5-2)12-15-16(18-17(20)22-15)13-7-6-8-14(11-13)21-3/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,20)
InChIKeyXNEKZLAVMCGSEW-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.73
Rot. Bonds8

About 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one

5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one (PubChem CID 110830821) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one
PubChem CID110830821
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one
SMILESCCCN(CCC)Cc1sc(=O)[nH]c1-c1cccc(OC)c1
InChIInChI=1S/C17H24N2O2S/c1-4-9-19(10-5-2)12-15-16(18-17(20)22-15)13-7-6-8-14(11-13)21-3/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,20)
InChIKeyXNEKZLAVMCGSEW-UHFFFAOYSA-N
XLogP3.73
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 110830824
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CID 80679564
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
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CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
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CID 132588517
5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one
CID 22378610
N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723984
4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one
CID 142708556
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
but-1-yne;4-(3-methoxyphenyl)-1H-pyrazole
CID 174488509

Frequently Asked Questions

What is the IUPAC name of 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one (CID 110830821) is 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one is CCCN(CCC)Cc1sc(=O)[nH]c1-c1cccc(OC)c1.
What is the InChIKey of 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is XNEKZLAVMCGSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-9-19(10-5-2)12-15-16(18-17(20)22-15)13-7-6-8-14(11-13)21-3/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one?
5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 320.46 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 110830821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).