methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate

C14H15ClN2O4S — CID 133451087

IUPACmethyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccc(OCCO)c(C)c2)nc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-8-7-9(3-4-10(8)21-6-5-18)16-14-17-12(15)11(22-14)13(19)20-2/h3-4,7,18H,5-6H2,1-2H3,(H,16,17)
InChIKeyJFRHDQCRNTUTPE-UHFFFAOYSA-N
MW342.80 g/mol
LogP3.01
Rot. Bonds6

About methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate (PubChem CID 133451087) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate
PubChem CID133451087
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Namemethyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccc(OCCO)c(C)c2)nc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-8-7-9(3-4-10(8)21-6-5-18)16-14-17-12(15)11(22-14)13(19)20-2/h3-4,7,18H,5-6H2,1-2H3,(H,16,17)
InChIKeyJFRHDQCRNTUTPE-UHFFFAOYSA-N
XLogP3.01
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-chloro-2-(3,4-dicyanoanilino)-1,3-thiazole-5-carboxylate
CID 107792352
methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60823390
methyl 2-(4-bromoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 60844908
methyl 4-chloro-2-(4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60845269
methyl 2-(4-bromo-3-iodoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 114261157
methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate
CID 60844737
methyl 4-chloro-2-(2-methoxy-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 60845445
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
methyl 4-chloro-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 60846127
methyl 4-chloro-2-[4-(3,3,3-trifluoropropyl)anilino]-1,3-thiazole-5-carboxylate
CID 133429643
methyl 4-chloro-2-(3-pyridin-2-yloxyanilino)-1,3-thiazole-5-carboxylate
CID 133428247
methyl 4-chloro-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 107854329

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate (CID 133451087) is methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2ccc(OCCO)c(C)c2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate?
The InChIKey is JFRHDQCRNTUTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-8-7-9(3-4-10(8)21-6-5-18)16-14-17-12(15)11(22-14)13(19)20-2/h3-4,7,18H,5-6H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate has a molecular weight of 342.80 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133451087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).