ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C14H17N5O3S — CID 42110504

IUPACethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2nc(NC(=O)c3ccnn3C)sc2C1
InChIInChI=1S/C14H17N5O3S/c1-3-22-14(21)19-7-5-9-11(8-19)23-13(16-9)17-12(20)10-4-6-15-18(10)2/h4,6H,3,5,7-8H2,1-2H3,(H,16,17,20)
InChIKeyPISQAPZUFWDGDP-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.64
Rot. Bonds3

About ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 42110504) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID42110504
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Nameethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2nc(NC(=O)c3ccnn3C)sc2C1
InChIInChI=1S/C14H17N5O3S/c1-3-22-14(21)19-7-5-9-11(8-19)23-13(16-9)17-12(20)10-4-6-15-18(10)2/h4,6H,3,5,7-8H2,1-2H3,(H,16,17,20)
InChIKeyPISQAPZUFWDGDP-UHFFFAOYSA-N
XLogP1.64
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 42110504) is ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2nc(NC(=O)c3ccnn3C)sc2C1.
What is the InChIKey of ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is PISQAPZUFWDGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-3-22-14(21)19-7-5-9-11(8-19)23-13(16-9)17-12(20)10-4-6-15-18(10)2/h4,6H,3,5,7-8H2,1-2H3,(H,16,17,20).
What are the key properties of ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 42110504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).