methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate

C19H17ClN2O3S2 — CID 55802629

IUPACmethyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C19H17ClN2O3S2/c1-12-17(27-18(21-12)14-7-8-26-11-14)19(24)22(10-16(23)25-2)9-13-3-5-15(20)6-4-13/h3-8,11H,9-10H2,1-2H3
InChIKeyIVYSWNNBZUYQIR-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.65
Rot. Bonds6

About methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate

methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate (PubChem CID 55802629) has the molecular formula C19H17ClN2O3S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate
PubChem CID55802629
Molecular FormulaC19H17ClN2O3S2
Molecular Weight420.94 g/mol
Exact Mass420.04
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C19H17ClN2O3S2/c1-12-17(27-18(21-12)14-7-8-26-11-14)19(24)22(10-16(23)25-2)9-13-3-5-15(20)6-4-13/h3-8,11H,9-10H2,1-2H3
InChIKeyIVYSWNNBZUYQIR-UHFFFAOYSA-N
XLogP4.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate (CID 55802629) is methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate is COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1sc(-c2ccsc2)nc1C.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate?
The InChIKey is IVYSWNNBZUYQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S2/c1-12-17(27-18(21-12)14-7-8-26-11-14)19(24)22(10-16(23)25-2)9-13-3-5-15(20)6-4-13/h3-8,11H,9-10H2,1-2H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate has a molecular weight of 420.94 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 55802629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).