ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate

C14H14ClNO2S — CID 68982830

IUPACethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H14ClNO2S/c1-3-18-14(17)13-9(2)16-12(19-13)8-10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyRBGMSXOAHNHMJC-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.87
Rot. Bonds4

About ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 68982830) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID68982830
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Nameethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H14ClNO2S/c1-3-18-14(17)13-9(2)16-12(19-13)8-10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyRBGMSXOAHNHMJC-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide
CID 82428450
(2-ethoxyphenyl) 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 55667253
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
ethyl 4-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylate
CID 71071577

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 68982830) is ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cc2ccc(Cl)cc2)nc1C.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is RBGMSXOAHNHMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-3-18-14(17)13-9(2)16-12(19-13)8-10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 295.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 68982830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).