methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate

C16H20N2O2S — CID 80574203

IUPACmethyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H20N2O2S/c1-11(2)13-6-4-12(5-7-13)9-17-16-18-14(10-21-16)8-15(19)20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
InChIKeyFZOSHAUWQNEPEY-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.59
Rot. Bonds6

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

methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574203) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574203
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Namemethyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H20N2O2S/c1-11(2)13-6-4-12(5-7-13)9-17-16-18-14(10-21-16)8-15(19)20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
InChIKeyFZOSHAUWQNEPEY-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-[(4-propan-2-ylphenyl)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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate (CID 80574203) is methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NCc2ccc(C(C)C)cc2)n1.
What is the InChIKey of methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FZOSHAUWQNEPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)13-6-4-12(5-7-13)9-17-16-18-14(10-21-16)8-15(19)20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 304.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).