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

C15H13N5O2S2 — CID 59200371

IUPACmethyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Sc2csc(Nc3ccc(N)cn3)n2)ccn1
InChIInChI=1S/C15H13N5O2S2/c1-22-14(21)11-6-10(4-5-17-11)24-13-8-23-15(20-13)19-12-3-2-9(16)7-18-12/h2-8H,16H2,1H3,(H,18,19,20)
InChIKeyMJPCYKHGGQOQEI-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.20
Rot. Bonds5

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

methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate (PubChem CID 59200371) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate
PubChem CID59200371
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Namemethyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Sc2csc(Nc3ccc(N)cn3)n2)ccn1
InChIInChI=1S/C15H13N5O2S2/c1-22-14(21)11-6-10(4-5-17-11)24-13-8-23-15(20-13)19-12-3-2-9(16)7-18-12/h2-8H,16H2,1H3,(H,18,19,20)
InChIKeyMJPCYKHGGQOQEI-UHFFFAOYSA-N
XLogP3.20
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate (CID 59200371) is methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate is COC(=O)c1cc(Sc2csc(Nc3ccc(N)cn3)n2)ccn1.
What is the InChIKey of methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate?
The InChIKey is MJPCYKHGGQOQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-22-14(21)11-6-10(4-5-17-11)24-13-8-23-15(20-13)19-12-3-2-9(16)7-18-12/h2-8H,16H2,1H3,(H,18,19,20).
What are the key properties of methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate?
methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate has a molecular weight of 359.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate is sourced from PubChem (CID 59200371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).