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

C12H11ClN2O2S — CID 78916398

IUPACmethyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccccc2Cl)nc1C
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(11(16)17-2)18-12(14-7)15-9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H,14,15)
InChIKeyDKYJKGAEXSXCII-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.64
Rot. Bonds3

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

methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 78916398) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID78916398
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Namemethyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccccc2Cl)nc1C
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(11(16)17-2)18-12(14-7)15-9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H,14,15)
InChIKeyDKYJKGAEXSXCII-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine
CID 136904763
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
methyl 4-chloro-2-(2-cyanoanilino)-1,3-thiazole-5-carboxylate
CID 60844564
3-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161959
methyl 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6016952
methyl 2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 52532688
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
methyl 2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110536252
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 107856348

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate (CID 78916398) is methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2ccccc2Cl)nc1C.
What is the InChIKey of methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is DKYJKGAEXSXCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-10(11(16)17-2)18-12(14-7)15-9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 282.75 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78916398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).