(Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid

C17H15ClN2O4S — CID 19010601

IUPAC(Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
SMILESCO/C=C(/Cc1csc2nc(COc3ccc(Cl)cc3)cn12)C(=O)O
InChIInChI=1S/C17H15ClN2O4S/c1-23-8-11(16(21)22)6-14-10-25-17-19-13(7-20(14)17)9-24-15-4-2-12(18)3-5-15/h2-5,7-8,10H,6,9H2,1H3,(H,21,22)/b11-8-
InChIKeyYWYHOTYUWGRCNF-FLIBITNWSA-N
MW378.84 g/mol
LogP3.79
Rot. Bonds7

About (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid

(Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid (PubChem CID 19010601) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
PubChem CID19010601
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name(Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
SMILESCO/C=C(/Cc1csc2nc(COc3ccc(Cl)cc3)cn12)C(=O)O
InChIInChI=1S/C17H15ClN2O4S/c1-23-8-11(16(21)22)6-14-10-25-17-19-13(7-20(14)17)9-24-15-4-2-12(18)3-5-15/h2-5,7-8,10H,6,9H2,1H3,(H,21,22)/b11-8-
InChIKeyYWYHOTYUWGRCNF-FLIBITNWSA-N
XLogP3.79
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid 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 (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The IUPAC name of (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid (CID 19010601) is (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid.
What is the SMILES notation for (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The canonical SMILES for (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid is CO/C=C(/Cc1csc2nc(COc3ccc(Cl)cc3)cn12)C(=O)O.
What is the InChIKey of (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The InChIKey is YWYHOTYUWGRCNF-FLIBITNWSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-23-8-11(16(21)22)6-14-10-25-17-19-13(7-20(14)17)9-24-15-4-2-12(18)3-5-15/h2-5,7-8,10H,6,9H2,1H3,(H,21,22)/b11-8-.
What are the key properties of (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
(Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid has a molecular weight of 378.84 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid is sourced from PubChem (CID 19010601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).