methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate

C14H18N4O2S — CID 114405910

IUPACmethyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C14H18N4O2S/c1-7-12(21-9(3)16-7)8(2)17-13-10(15)5-6-11(18-13)14(19)20-4/h5-6,8H,15H2,1-4H3,(H,17,18)
InChIKeyDMJTXDPPNCBPMD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.70
Rot. Bonds4

About methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate

methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate (PubChem CID 114405910) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate
PubChem CID114405910
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Namemethyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C14H18N4O2S/c1-7-12(21-9(3)16-7)8(2)17-13-10(15)5-6-11(18-13)14(19)20-4/h5-6,8H,15H2,1-4H3,(H,17,18)
InChIKeyDMJTXDPPNCBPMD-UHFFFAOYSA-N
XLogP2.70
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid
CID 114405911
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxamide
CID 114405909
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
CID 114406184
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
CID 114408015
methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
CID 114405472
methyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methylbutanoate
CID 116887286
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 62532682
2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 115545340
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80808190
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 114406914

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate (CID 114405910) is methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NC(C)c2sc(C)nc2C)n1.
What is the InChIKey of methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate?
The InChIKey is DMJTXDPPNCBPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-7-12(21-9(3)16-7)8(2)17-13-10(15)5-6-11(18-13)14(19)20-4/h5-6,8H,15H2,1-4H3,(H,17,18).
What are the key properties of methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.70, 4 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-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 114405910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).