methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate

C14H15ClN2O2S — CID 62003650

IUPACmethyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
SMILESCCc1ccc(N(C)c2nc(Cl)c(C(=O)OC)s2)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-4-9-5-7-10(8-6-9)17(2)14-16-12(15)11(20-14)13(18)19-3/h5-8H,4H2,1-3H3
InChIKeyJEBGMFAZNXNIDL-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.91
Rot. Bonds4

About methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate (PubChem CID 62003650) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
PubChem CID62003650
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Namemethyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
SMILESCCc1ccc(N(C)c2nc(Cl)c(C(=O)OC)s2)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-4-9-5-7-10(8-6-9)17(2)14-16-12(15)11(20-14)13(18)19-3/h5-8H,4H2,1-3H3
InChIKeyJEBGMFAZNXNIDL-UHFFFAOYSA-N
XLogP3.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-(4-cyano-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62982034
methyl 4-chloro-2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate
CID 133431019
methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate
CID 60845621
methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 60843891
methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate
CID 61450285
methyl 4-chloro-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylate
CID 79073332
methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 80571148
methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate
CID 61450412
methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 54926723
methyl 2-[bis(cyanomethyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 60823083
4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 62763927
methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate
CID 47376983

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate (CID 62003650) is methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate is CCc1ccc(N(C)c2nc(Cl)c(C(=O)OC)s2)cc1.
What is the InChIKey of methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is JEBGMFAZNXNIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-4-9-5-7-10(8-6-9)17(2)14-16-12(15)11(20-14)13(18)19-3/h5-8H,4H2,1-3H3.
What are the key properties of methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 310.81 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 62003650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).