2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C14H15ClN2O2S — CID 24712424

IUPAC2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C14H15ClN2O2S/c1-9(2)16-14(18)12-8-20-13(17-12)7-19-11-5-3-4-10(15)6-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyALJNUYAKRRAVKZ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.51
Rot. Bonds5

About 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 24712424) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID24712424
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C14H15ClN2O2S/c1-9(2)16-14(18)12-8-20-13(17-12)7-19-11-5-3-4-10(15)6-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyALJNUYAKRRAVKZ-UHFFFAOYSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide 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 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 24712424) is 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(COc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ALJNUYAKRRAVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9(2)16-14(18)12-8-20-13(17-12)7-19-11-5-3-4-10(15)6-11/h3-6,8-9H,7H2,1-2H3,(H,16,18).
What are the key properties of 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).