methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate

C14H14Cl2N2O3S — CID 58496129

IUPACmethyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate
SMILESCOCCc1nc(Nc2cc(Cl)ccc2Cl)sc1C(=O)OC
InChIInChI=1S/C14H14Cl2N2O3S/c1-20-6-5-10-12(13(19)21-2)22-14(17-10)18-11-7-8(15)3-4-9(11)16/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyRFTGXTKPMZXIJL-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.17
Rot. Bonds6

About methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate

methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate (PubChem CID 58496129) has the molecular formula C14H14Cl2N2O3S and a molecular weight of 361.25 g/mol. Its IUPAC name is methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate
PubChem CID58496129
Molecular FormulaC14H14Cl2N2O3S
Molecular Weight361.25 g/mol
Exact Mass360.01
IUPAC Namemethyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate
SMILESCOCCc1nc(Nc2cc(Cl)ccc2Cl)sc1C(=O)OC
InChIInChI=1S/C14H14Cl2N2O3S/c1-20-6-5-10-12(13(19)21-2)22-14(17-10)18-11-7-8(15)3-4-9(11)16/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyRFTGXTKPMZXIJL-UHFFFAOYSA-N
XLogP4.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-ethyl-2-(2,4,6-trichloroanilino)-1,3-thiazole-5-carboxylate
CID 18672263
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306591
methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60823390
methyl 2-(5-bromo-2-chloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424318
5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 43306502
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea
CID 113249966
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
methyl 4-chloro-2-(2-methoxy-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 60845445
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 83281447

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate (CID 58496129) is methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate is COCCc1nc(Nc2cc(Cl)ccc2Cl)sc1C(=O)OC.
What is the InChIKey of methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is RFTGXTKPMZXIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S/c1-20-6-5-10-12(13(19)21-2)22-14(17-10)18-11-7-8(15)3-4-9(11)16/h3-4,7H,5-6H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate?
methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 361.25 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dichloroanilino)-4-(2-methoxyethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58496129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).