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

C12H13N3O3S — CID 106924161

IUPACmethyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Sc2nc(C)c(C)o2)c1N
InChIInChI=1S/C12H13N3O3S/c1-6-7(2)18-12(15-6)19-10-9(13)8(4-5-14-10)11(16)17-3/h4-5H,13H2,1-3H3
InChIKeyXVLLPAVQKOMHSV-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.21
Rot. Bonds3

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

methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate (PubChem CID 106924161) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate
PubChem CID106924161
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Namemethyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Sc2nc(C)c(C)o2)c1N
InChIInChI=1S/C12H13N3O3S/c1-6-7(2)18-12(15-6)19-10-9(13)8(4-5-14-10)11(16)17-3/h4-5H,13H2,1-3H3
InChIKeyXVLLPAVQKOMHSV-UHFFFAOYSA-N
XLogP2.21
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate with MolForge

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Related Compounds

methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924162
ethyl 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924165
ethyl 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924173
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-methoxyaniline
CID 106921652
methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate
CID 54413564
ethyl 3-amino-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylate
CID 79325861
methyl 2-amino-3-methylsulfanylbenzoate
CID 75481794
methyl 2-amino-3-(2-methylfuran-3-yl)sulfanylbenzoate
CID 107781312
methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 112588507
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923049
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate (CID 106924161) is methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate is COC(=O)c1ccnc(Sc2nc(C)c(C)o2)c1N.
What is the InChIKey of methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate?
The InChIKey is XVLLPAVQKOMHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-6-7(2)18-12(15-6)19-10-9(13)8(4-5-14-10)11(16)17-3/h4-5H,13H2,1-3H3.
What are the key properties of methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate?
methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate is sourced from PubChem (CID 106924161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).