3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one

C17H23ClN2OS — CID 86947237

IUPAC3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(C)C(c1ccccc1Cl)C(C)C
InChIInChI=1S/C17H23ClN2OS/c1-12(2)16(14-7-5-6-8-15(14)18)19(4)9-10-20-13(3)11-22-17(20)21/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyMMVXZMIHJDKKHG-UHFFFAOYSA-N
MW338.90 g/mol
LogP4.20
Rot. Bonds6

About 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 86947237) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID86947237
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC Name3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(C)C(c1ccccc1Cl)C(C)C
InChIInChI=1S/C17H23ClN2OS/c1-12(2)16(14-7-5-6-8-15(14)18)19(4)9-10-20-13(3)11-22-17(20)21/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyMMVXZMIHJDKKHG-UHFFFAOYSA-N
XLogP4.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025800
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2-chlorophenyl)-N,2-dimethylpropan-1-amine;hydrochloride
CID 120751954
3-(6-chlorohexyl)-4-methyl-1,3-thiazol-2-one
CID 62228753
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
(2R)-2-amino-N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-N-methylpropanamide
CID 124682219
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 47007927
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 55490587

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one (CID 86947237) is 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCN(C)C(c1ccccc1Cl)C(C)C.
What is the InChIKey of 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is MMVXZMIHJDKKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2OS/c1-12(2)16(14-7-5-6-8-15(14)18)19(4)9-10-20-13(3)11-22-17(20)21/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 338.90 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(2-chlorophenyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 86947237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).