3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one

C14H18N2O2S — CID 82027895

IUPAC3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one
SMILESCOc1ccc(-c2c(C)sc(=O)n2CCCN)cc1
InChIInChI=1S/C14H18N2O2S/c1-10-13(11-4-6-12(18-2)7-5-11)16(9-3-8-15)14(17)19-10/h4-7H,3,8-9,15H2,1-2H3
InChIKeySUHOJEXVMGNHGW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.24
Rot. Bonds5

About 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one

3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one (PubChem CID 82027895) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one
PubChem CID82027895
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one
SMILESCOc1ccc(-c2c(C)sc(=O)n2CCCN)cc1
InChIInChI=1S/C14H18N2O2S/c1-10-13(11-4-6-12(18-2)7-5-11)16(9-3-8-15)14(17)19-10/h4-7H,3,8-9,15H2,1-2H3
InChIKeySUHOJEXVMGNHGW-UHFFFAOYSA-N
XLogP2.24
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one
CID 82105226
4-[4-(4-chlorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286990
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
CID 22484625
3-[4-(3,4-dimethoxyphenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 82027992
4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine
CID 31060825
3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 82027849
3-[(4-aminophenyl)methyl]-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 92936579
3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one
CID 22484567
2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride
CID 173089205
4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138393000
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
7-(3-aminopropyl)-3-(4-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 82554843

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one (CID 82027895) is 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one is COc1ccc(-c2c(C)sc(=O)n2CCCN)cc1.
What is the InChIKey of 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one?
The InChIKey is SUHOJEXVMGNHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-13(11-4-6-12(18-2)7-5-11)16(9-3-8-15)14(17)19-10/h4-7H,3,8-9,15H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one?
3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 82027895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).