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

C14H15ClN2O2S — CID 60844737

IUPACmethyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate
SMILESCCCc1ccc(Nc2nc(Cl)c(C(=O)OC)s2)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-3-4-9-5-7-10(8-6-9)16-14-17-12(15)11(20-14)13(18)19-2/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyATATYBNOPPIHMF-UHFFFAOYSA-N
MW310.81 g/mol
LogP4.28
Rot. Bonds5

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

methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate (PubChem CID 60844737) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate
PubChem CID60844737
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Namemethyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate
SMILESCCCc1ccc(Nc2nc(Cl)c(C(=O)OC)s2)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-3-4-9-5-7-10(8-6-9)16-14-17-12(15)11(20-14)13(18)19-2/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyATATYBNOPPIHMF-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-[4-(3,3,3-trifluoropropyl)anilino]-1,3-thiazole-5-carboxylate
CID 133429643
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 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60823390
methyl 4-chloro-2-(3,4-dicyanoanilino)-1,3-thiazole-5-carboxylate
CID 107792352
methyl 2-(4-bromo-3-iodoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 114261157
methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate
CID 133451087
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
methyl 4-chloro-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 60846127
methyl 4-chloro-2-[[2-(ethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
CID 54926441
methyl 4-chloro-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 79778588

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate (CID 60844737) is methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate is CCCc1ccc(Nc2nc(Cl)c(C(=O)OC)s2)cc1.
What is the InChIKey of methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is ATATYBNOPPIHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-3-4-9-5-7-10(8-6-9)16-14-17-12(15)11(20-14)13(18)19-2/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 310.81 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60844737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).