methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate

C11H12ClN3O3S — CID 59208447

IUPACmethyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate
SMILESCOCCn1ccnc1-c1nc(Cl)sc1C(=O)OC
InChIInChI=1S/C11H12ClN3O3S/c1-17-6-5-15-4-3-13-9(15)7-8(10(16)18-2)19-11(12)14-7/h3-4H,5-6H2,1-2H3
InChIKeyAZZFTSNYKHGYSU-UHFFFAOYSA-N
MW301.76 g/mol
LogP2.09
Rot. Bonds5

About methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate

methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate (PubChem CID 59208447) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate
PubChem CID59208447
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Namemethyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate
SMILESCOCCn1ccnc1-c1nc(Cl)sc1C(=O)OC
InChIInChI=1S/C11H12ClN3O3S/c1-17-6-5-15-4-3-13-9(15)7-8(10(16)18-2)19-11(12)14-7/h3-4H,5-6H2,1-2H3
InChIKeyAZZFTSNYKHGYSU-UHFFFAOYSA-N
XLogP2.09
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate (CID 59208447) is methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate is COCCn1ccnc1-c1nc(Cl)sc1C(=O)OC.
What is the InChIKey of methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is AZZFTSNYKHGYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-17-6-5-15-4-3-13-9(15)7-8(10(16)18-2)19-11(12)14-7/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate?
methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 301.76 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59208447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).