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

C20H15N3O2S2 — CID 25313151

IUPAC(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H15N3O2S2/c1-13-17(27-18(22-13)14-7-3-2-4-8-14)20(24)25-11-15-12-26-19(23-15)16-9-5-6-10-21-16/h2-10,12H,11H2,1H3
InChIKeyXNVYKGBAMIKTHF-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.99
Rot. Bonds5

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

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 25313151) has the molecular formula C20H15N3O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID25313151
Molecular FormulaC20H15N3O2S2
Molecular Weight393.49 g/mol
Exact Mass393.06
IUPAC Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H15N3O2S2/c1-13-17(27-18(22-13)14-7-3-2-4-8-14)20(24)25-11-15-12-26-19(23-15)16-9-5-6-10-21-16/h2-10,12H,11H2,1H3
InChIKeyXNVYKGBAMIKTHF-UHFFFAOYSA-N
XLogP4.99
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 16602374
[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 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 42487190
pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 43021630
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 46561251
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18147558
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-cyanobenzoate
CID 42489484
[2-(N-methylanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137078
(2-nitrophenyl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 30177342
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66632863

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 25313151) is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)sc1C(=O)OCc1csc(-c2ccccn2)n1.
What is the InChIKey of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is XNVYKGBAMIKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c1-13-17(27-18(22-13)14-7-3-2-4-8-14)20(24)25-11-15-12-26-19(23-15)16-9-5-6-10-21-16/h2-10,12H,11H2,1H3.
What are the key properties of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 4.99, 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 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 25313151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).