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

C15H18N2O2S — CID 115424026

IUPACmethyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate
SMILESCCCc1ccccc1Nc1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C15H18N2O2S/c1-4-7-11-8-5-6-9-12(11)16-15-17-13(10(2)20-15)14(18)19-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyAOVGUAKSLVFCDI-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.93
Rot. Bonds5

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

methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 115424026) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate
PubChem CID115424026
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate
SMILESCCCc1ccccc1Nc1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C15H18N2O2S/c1-4-7-11-8-5-6-9-12(11)16-15-17-13(10(2)20-15)14(18)19-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyAOVGUAKSLVFCDI-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-bromoanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423233
methyl 2-[(2-bromophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423972
methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423276
methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306591
methyl 2-(5-cyano-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424241
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424812
methyl 2-(5-bromo-2-chloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424318
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424867
methyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 115423111
ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526403
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate (CID 115424026) is methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate is CCCc1ccccc1Nc1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is AOVGUAKSLVFCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-7-11-8-5-6-9-12(11)16-15-17-13(10(2)20-15)14(18)19-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17).
What are the key properties of methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).