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

C15H19N5O3S — CID 16952291

IUPACethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2nc(NC(=O)c3cc(C)n(C)n3)sc2C1
InChIInChI=1S/C15H19N5O3S/c1-4-23-15(22)20-6-5-10-12(8-20)24-14(16-10)17-13(21)11-7-9(2)19(3)18-11/h7H,4-6,8H2,1-3H3,(H,16,17,21)
InChIKeyMGTQIMUICXFJEP-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.95
Rot. Bonds3

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

ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 16952291) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID16952291
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Nameethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2nc(NC(=O)c3cc(C)n(C)n3)sc2C1
InChIInChI=1S/C15H19N5O3S/c1-4-23-15(22)20-6-5-10-12(8-20)24-14(16-10)17-13(21)11-7-9(2)19(3)18-11/h7H,4-6,8H2,1-3H3,(H,16,17,21)
InChIKeyMGTQIMUICXFJEP-UHFFFAOYSA-N
XLogP1.95
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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CID 16952740
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CID 25854601
CID 25854601
CID 25854624
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CID 42110504
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CID 42111324
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CID 42285717

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 16952291) is ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2nc(NC(=O)c3cc(C)n(C)n3)sc2C1.
What is the InChIKey of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is MGTQIMUICXFJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-4-23-15(22)20-6-5-10-12(8-20)24-14(16-10)17-13(21)11-7-9(2)19(3)18-11/h7H,4-6,8H2,1-3H3,(H,16,17,21).
What are the key properties of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 349.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 16952291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).