ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate

C12H13N3O3S — CID 114195804

IUPACethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1Sc1nc(C)co1
InChIInChI=1S/C12H13N3O3S/c1-3-17-11(16)8-4-10(13)14-5-9(8)19-12-15-7(2)6-18-12/h4-6H,3H2,1-2H3,(H2,13,14)
InChIKeyFYOKRKNHOMBGRG-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.29
Rot. Bonds4

About ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate

ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate (PubChem CID 114195804) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate
PubChem CID114195804
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Nameethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1Sc1nc(C)co1
InChIInChI=1S/C12H13N3O3S/c1-3-17-11(16)8-4-10(13)14-5-9(8)19-12-15-7(2)6-18-12/h4-6H,3H2,1-2H3,(H2,13,14)
InChIKeyFYOKRKNHOMBGRG-UHFFFAOYSA-N
XLogP2.29
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921500
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
(1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
CID 106926969
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 3-amino-2-(5-methylpyrimidin-2-yl)sulfanylbenzoate
CID 115935953
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
ethyl 4-amino-2-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 16601512
ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
CID 114194899
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558
diethyl phthalazine-6,7-dicarboxylate
CID 13115748

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate (CID 114195804) is ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate is CCOC(=O)c1cc(N)ncc1Sc1nc(C)co1.
What is the InChIKey of ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate?
The InChIKey is FYOKRKNHOMBGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-3-17-11(16)8-4-10(13)14-5-9(8)19-12-15-7(2)6-18-12/h4-6H,3H2,1-2H3,(H2,13,14).
What are the key properties of ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate?
ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate is sourced from PubChem (CID 114195804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).