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

C14H18N4O2S — CID 114405863

IUPACmethyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C14H18N4O2S/c1-14(2,3)10-7-21-13(17-10)18-11-8(15)5-6-9(16-11)12(19)20-4/h5-7H,15H2,1-4H3,(H,16,17,18)
InChIKeyQABNNUUTGOQUGU-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.95
Rot. Bonds3

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

methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate (PubChem CID 114405863) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate
PubChem CID114405863
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Namemethyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C14H18N4O2S/c1-14(2,3)10-7-21-13(17-10)18-11-8(15)5-6-9(16-11)12(19)20-4/h5-7H,15H2,1-4H3,(H,16,17,18)
InChIKeyQABNNUUTGOQUGU-UHFFFAOYSA-N
XLogP2.95
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine
CID 114049823
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
CID 114408077
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 90824816
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate (CID 114405863) is methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2nc(C(C)(C)C)cs2)n1.
What is the InChIKey of methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate?
The InChIKey is QABNNUUTGOQUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-14(2,3)10-7-21-13(17-10)18-11-8(15)5-6-9(16-11)12(19)20-4/h5-7H,15H2,1-4H3,(H,16,17,18).
What are the key properties of methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114405863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).