(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate

C19H12FN3O2S2 — CID 86846496

IUPAC(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESO=C(OCc1csc(-c2ccccn2)n1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C19H12FN3O2S2/c20-14-6-2-1-5-13(14)17-22-9-16(27-17)19(24)25-10-12-11-26-18(23-12)15-7-3-4-8-21-15/h1-9,11H,10H2
InChIKeyLECTXCHMQSRCSU-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.82
Rot. Bonds5

About (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 86846496) has the molecular formula C19H12FN3O2S2 and a molecular weight of 397.46 g/mol. Its IUPAC name is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID86846496
Molecular FormulaC19H12FN3O2S2
Molecular Weight397.46 g/mol
Exact Mass397.04
IUPAC Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESO=C(OCc1csc(-c2ccccn2)n1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C19H12FN3O2S2/c20-14-6-2-1-5-13(14)17-22-9-16(27-17)19(24)25-10-12-11-26-18(23-12)15-7-3-4-8-21-15/h1-9,11H,10H2
InChIKeyLECTXCHMQSRCSU-UHFFFAOYSA-N
XLogP4.82
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate
CID 18291551
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-cyanobenzoate
CID 42489484
(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 2-pyrazol-1-ylbenzoate
CID 86826373
(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 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 42487190
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 38242945
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 16605270
(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
methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002
2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 56518615
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 86846496) is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate is O=C(OCc1csc(-c2ccccn2)n1)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is LECTXCHMQSRCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S2/c20-14-6-2-1-5-13(14)17-22-9-16(27-17)19(24)25-10-12-11-26-18(23-12)15-7-3-4-8-21-15/h1-9,11H,10H2.
What are the key properties of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate?
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 397.46 g/mol, XLogP of 4.82, 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-(2-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86846496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).