ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C15H17N3O2S — CID 107587125

IUPACethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(Nc3cncc(C)c3)nc21
InChIInChI=1S/C15H17N3O2S/c1-3-20-14(19)11-4-5-12-13(11)18-15(21-12)17-10-6-9(2)7-16-8-10/h6-8,11H,3-5H2,1-2H3,(H,17,18)
InChIKeyMZGQMBRIBFLSKK-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.18
Rot. Bonds4

About ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 107587125) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID107587125
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Nameethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(Nc3cncc(C)c3)nc21
InChIInChI=1S/C15H17N3O2S/c1-3-20-14(19)11-4-5-12-13(11)18-15(21-12)17-10-6-9(2)7-16-8-10/h6-8,11H,3-5H2,1-2H3,(H,17,18)
InChIKeyMZGQMBRIBFLSKK-UHFFFAOYSA-N
XLogP3.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 107587125) is ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(Nc3cncc(C)c3)nc21.
What is the InChIKey of ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is MZGQMBRIBFLSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-20-14(19)11-4-5-12-13(11)18-15(21-12)17-10-6-9(2)7-16-8-10/h6-8,11H,3-5H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 107587125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).