pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate

C19H18N2O2S — CID 43021630

IUPACpyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCc1ccc(-c2nc(C)c(C(=O)OCc3ccccn3)s2)cc1
InChIInChI=1S/C19H18N2O2S/c1-3-14-7-9-15(10-8-14)18-21-13(2)17(24-18)19(22)23-12-16-6-4-5-11-20-16/h4-11H,3,12H2,1-2H3
InChIKeyXBDNSELMDOCMJM-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.43
Rot. Bonds5

About pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate

pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 43021630) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID43021630
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Namepyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCc1ccc(-c2nc(C)c(C(=O)OCc3ccccn3)s2)cc1
InChIInChI=1S/C19H18N2O2S/c1-3-14-7-9-15(10-8-14)18-21-13(2)17(24-18)19(22)23-12-16-6-4-5-11-20-16/h4-11H,3,12H2,1-2H3
InChIKeyXBDNSELMDOCMJM-UHFFFAOYSA-N
XLogP4.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 25313151
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 18229742
(2-phenyl-1,3-oxazol-4-yl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 16602374
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837680
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837719
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18147558
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
[1-(difluoromethyl)imidazol-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16617523
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 43021630) is pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate is CCc1ccc(-c2nc(C)c(C(=O)OCc3ccccn3)s2)cc1.
What is the InChIKey of pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XBDNSELMDOCMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-14-7-9-15(10-8-14)18-21-13(2)17(24-18)19(22)23-12-16-6-4-5-11-20-16/h4-11H,3,12H2,1-2H3.
What are the key properties of pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 338.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 43021630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).