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

C18H25N3O2S — CID 110830824

IUPAC4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOc1cccc(-c2[nH]c(=O)sc2CN(C)C2CCN(C)CC2)c1
InChIInChI=1S/C18H25N3O2S/c1-20-9-7-14(8-10-20)21(2)12-16-17(19-18(22)24-16)13-5-4-6-15(11-13)23-3/h4-6,11,14H,7-10,12H2,1-3H3,(H,19,22)
InChIKeyLHBZJIIZCXZRDK-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.64
Rot. Bonds5

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

4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 110830824) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID110830824
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOc1cccc(-c2[nH]c(=O)sc2CN(C)C2CCN(C)CC2)c1
InChIInChI=1S/C18H25N3O2S/c1-20-9-7-14(8-10-20)21(2)12-16-17(19-18(22)24-16)13-5-4-6-15(11-13)23-3/h4-6,11,14H,7-10,12H2,1-3H3,(H,19,22)
InChIKeyLHBZJIIZCXZRDK-UHFFFAOYSA-N
XLogP2.64
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one
CID 110830821
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 65326987
3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 97277934
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
N-cyclopropyl-N-[4-(3-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 135259516
1-benzyl-3-(3-methoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 112796000
5-(azepan-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 110830828
N-[(3-methoxyphenyl)methyl]-2-[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44527388
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82183840

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 110830824) is 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is COc1cccc(-c2[nH]c(=O)sc2CN(C)C2CCN(C)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LHBZJIIZCXZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-20-9-7-14(8-10-20)21(2)12-16-17(19-18(22)24-16)13-5-4-6-15(11-13)23-3/h4-6,11,14H,7-10,12H2,1-3H3,(H,19,22).
What are the key properties of 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 347.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 110830824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).