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

C12H11ClN2O2S — CID 60823388

IUPACmethyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccccc2C)nc1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-7-5-3-4-6-8(7)14-12-15-10(13)9(18-12)11(16)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyDGEYLNITLTWHAD-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.64
Rot. Bonds3

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

methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate (PubChem CID 60823388) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
PubChem CID60823388
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Namemethyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccccc2C)nc1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-7-5-3-4-6-8(7)14-12-15-10(13)9(18-12)11(16)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyDGEYLNITLTWHAD-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

methyl 4-chloro-2-(2-cyanoanilino)-1,3-thiazole-5-carboxylate
CID 60844564
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
methyl 4-chloro-2-(2-methoxy-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 60845445
methyl 4-chloro-2-(isoquinolin-5-ylamino)-1,3-thiazole-5-carboxylate
CID 60845100
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-(2-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423299
methyl 4-chloro-2-[(2-hydroxyphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 103894493
methyl 4-chloro-2-(2-cyano-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 82015757
methyl 4-chloro-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 79778588
methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 133331356
methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60823390

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate (CID 60823388) is methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2ccccc2C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is DGEYLNITLTWHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-5-3-4-6-8(7)14-12-15-10(13)9(18-12)11(16)17-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(2-methylanilino)-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 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60823388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).