ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate

C17H17N3O2S2 — CID 2744330

IUPACethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)nc1CSc1nccn1C
InChIInChI=1S/C17H17N3O2S2/c1-3-22-16(21)14-13(11-23-17-18-9-10-20(17)2)19-15(24-14)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
InChIKeyUGDMJRLMIBUCBL-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.01
Rot. Bonds6

About ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate

ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 2744330) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID2744330
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Nameethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)nc1CSc1nccn1C
InChIInChI=1S/C17H17N3O2S2/c1-3-22-16(21)14-13(11-23-17-18-9-10-20(17)2)19-15(24-14)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
InChIKeyUGDMJRLMIBUCBL-UHFFFAOYSA-N
XLogP4.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-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

Related Compounds

ethyl 4-(bromomethyl)-2-(4-phenylphenyl)-1,3-thiazole-5-carboxylate
CID 143535277
ethyl 4-(2-ethyl-3-methylbutyl)-2-phenyl-1,3-thiazole-5-carboxylate
CID 91005823
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 4171231
ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate
CID 19589660
ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate
CID 20855145
ethyl 2-(1-oxidopyridin-1-ium-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 66854770
ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840726
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 43242889
ethyl 2-(2-benzylsulfanylimidazol-1-yl)acetate
CID 122714791
ethyl 2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 67459217
[1-(difluoromethyl)imidazol-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16617523

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate (CID 2744330) is ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccccc2)nc1CSc1nccn1C.
What is the InChIKey of ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is UGDMJRLMIBUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-3-22-16(21)14-13(11-23-17-18-9-10-20(17)2)19-15(24-14)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate?
ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 359.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2744330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).