ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate

C10H10ClN3O2S — CID 59864652

IUPACethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1cn(C)cn1
InChIInChI=1S/C10H10ClN3O2S/c1-3-16-9(15)8-7(13-10(11)17-8)6-4-14(2)5-12-6/h4-5H,3H2,1-2H3
InChIKeyALXBEEZRJOAMQB-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.37
Rot. Bonds3

About ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate

ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 59864652) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID59864652
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1cn(C)cn1
InChIInChI=1S/C10H10ClN3O2S/c1-3-16-9(15)8-7(13-10(11)17-8)6-4-14(2)5-12-6/h4-5H,3H2,1-2H3
InChIKeyALXBEEZRJOAMQB-UHFFFAOYSA-N
XLogP2.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate (CID 59864652) is ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1-c1cn(C)cn1.
What is the InChIKey of ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is ALXBEEZRJOAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-3-16-9(15)8-7(13-10(11)17-8)6-4-14(2)5-12-6/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 271.73 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).