(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate

C19H14N4O2S — CID 86826373

IUPAC(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate
SMILESO=C(OCc1csc(-c2ccccn2)n1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H14N4O2S/c24-19(15-6-1-2-8-17(15)23-11-5-10-21-23)25-12-14-13-26-18(22-14)16-7-3-4-9-20-16/h1-11,13H,12H2
InChIKeyWSUMTOMGOXVMNZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.75
Rot. Bonds5

About (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate (PubChem CID 86826373) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate.

Molecular Properties

Compound Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate
PubChem CID86826373
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate
SMILESO=C(OCc1csc(-c2ccccn2)n1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H14N4O2S/c24-19(15-6-1-2-8-17(15)23-11-5-10-21-23)25-12-14-13-26-18(22-14)16-7-3-4-9-20-16/h1-11,13H,12H2
InChIKeyWSUMTOMGOXVMNZ-UHFFFAOYSA-N
XLogP3.75
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-cyanobenzoate
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(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 86846496
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 25313151
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 42487190
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylate
CID 74807877
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate
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4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(cyclopropanecarbonylamino)-4-phenylthiophene-3-carboxylate
CID 30760630
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 43038521
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate?
The IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate (CID 86826373) is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate.
What is the SMILES notation for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate?
The canonical SMILES for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate is O=C(OCc1csc(-c2ccccn2)n1)c1ccccc1-n1cccn1.
What is the InChIKey of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate?
The InChIKey is WSUMTOMGOXVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-19(15-6-1-2-8-17(15)23-11-5-10-21-23)25-12-14-13-26-18(22-14)16-7-3-4-9-20-16/h1-11,13H,12H2.
What are the key properties of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate?
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate has a molecular weight of 362.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate is sourced from PubChem (CID 86826373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).