[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

C19H15ClN4O3S — CID 55530063

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)OCc3csc(-c4ccco4)n3)n2)n1
InChIInChI=1S/C19H15ClN4O3S/c1-11-8-12(2)24(23-11)16-6-5-14(20)17(22-16)19(25)27-9-13-10-28-18(21-13)15-4-3-7-26-15/h3-8,10H,9H2,1-2H3
InChIKeyXDYFQIVVSRYSQV-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.61
Rot. Bonds5

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (PubChem CID 55530063) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
PubChem CID55530063
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)OCc3csc(-c4ccco4)n3)n2)n1
InChIInChI=1S/C19H15ClN4O3S/c1-11-8-12(2)24(23-11)16-6-5-14(20)17(22-16)19(25)27-9-13-10-28-18(21-13)15-4-3-7-26-15/h3-8,10H,9H2,1-2H3
InChIKeyXDYFQIVVSRYSQV-UHFFFAOYSA-N
XLogP4.61
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (CID 55530063) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCc3csc(-c4ccco4)n3)n2)n1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The InChIKey is XDYFQIVVSRYSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-11-8-12(2)24(23-11)16-6-5-14(20)17(22-16)19(25)27-9-13-10-28-18(21-13)15-4-3-7-26-15/h3-8,10H,9H2,1-2H3.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate has a molecular weight of 414.87 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 55530063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).