[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate

C18H13N3O3S — CID 55528539

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H13N3O3S/c22-18(14-9-19-21-16(14)12-5-2-1-3-6-12)24-10-13-11-25-17(20-13)15-7-4-8-23-15/h1-9,11H,10H2,(H,19,21)
InChIKeyVKZVGYBDQWDAPO-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.15
Rot. Bonds5

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate (PubChem CID 55528539) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
PubChem CID55528539
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H13N3O3S/c22-18(14-9-19-21-16(14)12-5-2-1-3-6-12)24-10-13-11-25-17(20-13)15-7-4-8-23-15/h1-9,11H,10H2,(H,19,21)
InChIKeyVKZVGYBDQWDAPO-UHFFFAOYSA-N
XLogP4.15
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166192657
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55547095
(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 75500873
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid
CID 81438950
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55514433
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 154799956
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate
CID 55529422
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 32743449
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 32913848
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3-fluoroanilino)pyridine-3-carboxylate
CID 91641780

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate (CID 55528539) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate is O=C(OCc1csc(-c2ccco2)n1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate?
The InChIKey is VKZVGYBDQWDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-18(14-9-19-21-16(14)12-5-2-1-3-6-12)24-10-13-11-25-17(20-13)15-7-4-8-23-15/h1-9,11H,10H2,(H,19,21).
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate has a molecular weight of 351.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 55528539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).