methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate

C15H17ClN2O2S — CID 80574854

IUPACmethyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2O2S/c1-10(11-4-6-12(16)7-5-11)18(2)15-17-13(9-21-15)8-14(19)20-3/h4-7,9-10H,8H2,1-3H3
InChIKeyZYFGCVCKKSBRMI-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.71
Rot. Bonds5

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

methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574854) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574854
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Namemethyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2O2S/c1-10(11-4-6-12(16)7-5-11)18(2)15-17-13(9-21-15)8-14(19)20-3/h4-7,9-10H,8H2,1-3H3
InChIKeyZYFGCVCKKSBRMI-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83156958
methyl 2-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]acetate
CID 80574289
N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64542556
methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate
CID 112724647
methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575881
methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80574203
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 134001362
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate (CID 80574854) is methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N(C)C(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZYFGCVCKKSBRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10(11-4-6-12(16)7-5-11)18(2)15-17-13(9-21-15)8-14(19)20-3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 324.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).