ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate

C16H16N4O3S — CID 101482465

IUPACethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1cn(Nc2ccc(C)cc2)c(=O)c2sc(N)nc12
InChIInChI=1S/C16H16N4O3S/c1-3-23-15(22)11-8-20(19-10-6-4-9(2)5-7-10)14(21)13-12(11)18-16(17)24-13/h4-8,19H,3H2,1-2H3,(H2,17,18)
InChIKeyWQXVZRLKMADQAW-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate

ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate (PubChem CID 101482465) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
PubChem CID101482465
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Nameethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1cn(Nc2ccc(C)cc2)c(=O)c2sc(N)nc12
InChIInChI=1S/C16H16N4O3S/c1-3-23-15(22)11-8-20(19-10-6-4-9(2)5-7-10)14(21)13-12(11)18-16(17)24-13/h4-8,19H,3H2,1-2H3,(H2,17,18)
InChIKeyWQXVZRLKMADQAW-UHFFFAOYSA-N
XLogP2.40
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-amino-1,3-benzothiazole-4-carboxylate
CID 19894837
(2-amino-7-ethoxycarbonyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid
CID 22280362
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 5-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylate
CID 4140110
CID 145440043
CID 145440043
ethyl 1-methyl-5-[(4-methylanilino)methyl]pyrazole-4-carboxylate
CID 116630695
ethyl 2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4737233
diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate
CID 10405031
ethyl 2-amino-6-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 138496931
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
ethyl 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate (CID 101482465) is ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate is CCOC(=O)c1cn(Nc2ccc(C)cc2)c(=O)c2sc(N)nc12.
What is the InChIKey of ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate?
The InChIKey is WQXVZRLKMADQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-3-23-15(22)11-8-20(19-10-6-4-9(2)5-7-10)14(21)13-12(11)18-16(17)24-13/h4-8,19H,3H2,1-2H3,(H2,17,18).
What are the key properties of ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate?
ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate has a molecular weight of 344.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(4-methylanilino)-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate is sourced from PubChem (CID 101482465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).