methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate

C14H10ClN3O2S — CID 107331334

IUPACmethyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccnn2-c2ccccc2)nc1Cl
InChIInChI=1S/C14H10ClN3O2S/c1-20-14(19)11-12(15)17-13(21-11)10-7-8-16-18(10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyFPEYCOFSUJAPRG-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.44
Rot. Bonds3

About methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate (PubChem CID 107331334) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
PubChem CID107331334
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Namemethyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccnn2-c2ccccc2)nc1Cl
InChIInChI=1S/C14H10ClN3O2S/c1-20-14(19)11-12(15)17-13(21-11)10-7-8-16-18(10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyFPEYCOFSUJAPRG-UHFFFAOYSA-N
XLogP3.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate (CID 107331334) is methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccnn2-c2ccccc2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is FPEYCOFSUJAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c1-20-14(19)11-12(15)17-13(21-11)10-7-8-16-18(10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 319.77 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(2-phenylpyrazol-3-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 107331334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).