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

C12H11ClN2O3S — CID 107623558

IUPACmethyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccc(Cl)c(OC)c2)s1
InChIInChI=1S/C12H11ClN2O3S/c1-17-9-5-7(3-4-8(9)13)15-12-14-6-10(19-12)11(16)18-2/h3-6H,1-2H3,(H,14,15)
InChIKeyIPCLGIZXHXOHLY-UHFFFAOYSA-N
MW298.75 g/mol
LogP3.34
Rot. Bonds4

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

methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate (PubChem CID 107623558) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
PubChem CID107623558
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Namemethyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccc(Cl)c(OC)c2)s1
InChIInChI=1S/C12H11ClN2O3S/c1-17-9-5-7(3-4-8(9)13)15-12-14-6-10(19-12)11(16)18-2/h3-6H,1-2H3,(H,14,15)
InChIKeyIPCLGIZXHXOHLY-UHFFFAOYSA-N
XLogP3.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
methyl 2-(3-cyano-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571491
methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80572347
methyl 2-(3-cyanoanilino)-1,3-thiazole-5-carboxylate
CID 80571651
methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate
CID 80571492
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 107622764
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103591
methyl 2-(2,4,5-trifluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571341
7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 107622332

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate (CID 107623558) is methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2ccc(Cl)c(OC)c2)s1.
What is the InChIKey of methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is IPCLGIZXHXOHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-17-9-5-7(3-4-8(9)13)15-12-14-6-10(19-12)11(16)18-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate?
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 298.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 107623558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).