ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate

C18H18N4O3S — CID 16952131

IUPACethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1-c1ccccc1
InChIInChI=1S/C18H18N4O3S/c1-4-25-17(24)15-14(12-8-6-5-7-9-12)19-18(26-15)20-16(23)13-10-11(2)22(3)21-13/h5-10H,4H2,1-3H3,(H,19,20,23)
InChIKeyYBRJVOMBODQNGN-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.28
Rot. Bonds5

About ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 16952131) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID16952131
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Nameethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1-c1ccccc1
InChIInChI=1S/C18H18N4O3S/c1-4-25-17(24)15-14(12-8-6-5-7-9-12)19-18(26-15)20-16(23)13-10-11(2)22(3)21-13/h5-10H,4H2,1-3H3,(H,19,20,23)
InChIKeyYBRJVOMBODQNGN-UHFFFAOYSA-N
XLogP3.28
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate 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 ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 16952131) is ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is YBRJVOMBODQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-4-25-17(24)15-14(12-8-6-5-7-9-12)19-18(26-15)20-16(23)13-10-11(2)22(3)21-13/h5-10H,4H2,1-3H3,(H,19,20,23).
What are the key properties of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16952131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).