methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate

C14H18N4O2S — CID 114407610

IUPACmethyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
SMILESCCc1cnc(C(C)Nc2nc(C(=O)OC)ccc2N)s1
InChIInChI=1S/C14H18N4O2S/c1-4-9-7-16-13(21-9)8(2)17-12-10(15)5-6-11(18-12)14(19)20-3/h5-8H,4,15H2,1-3H3,(H,17,18)
InChIKeyFFRCOPCTEMPINU-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.64
Rot. Bonds5

About methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate

methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate (PubChem CID 114407610) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
PubChem CID114407610
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Namemethyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
SMILESCCc1cnc(C(C)Nc2nc(C(=O)OC)ccc2N)s1
InChIInChI=1S/C14H18N4O2S/c1-4-9-7-16-13(21-9)8(2)17-12-10(15)5-6-11(18-12)14(19)20-3/h5-8H,4,15H2,1-3H3,(H,17,18)
InChIKeyFFRCOPCTEMPINU-UHFFFAOYSA-N
XLogP2.64
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 114405910
methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 106014430
methyl 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133335765
1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 104613096
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
CID 114408015
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
CID 114406184
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxamide
CID 133335711
methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
CID 114405472
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 113387588
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine
CID 115682000
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate (CID 114407610) is methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate is CCc1cnc(C(C)Nc2nc(C(=O)OC)ccc2N)s1.
What is the InChIKey of methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate?
The InChIKey is FFRCOPCTEMPINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-9-7-16-13(21-9)8(2)17-12-10(15)5-6-11(18-12)14(19)20-3/h5-8H,4,15H2,1-3H3,(H,17,18).
What are the key properties of methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 114407610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).