ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C14H14N4O4S — CID 51894262

IUPACethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(=O)[nH]n3)nc21
InChIInChI=1S/C14H14N4O4S/c1-2-22-13(21)7-3-5-9-11(7)15-14(23-9)16-12(20)8-4-6-10(19)18-17-8/h4,6-7H,2-3,5H2,1H3,(H,18,19)(H,15,16,20)/t7-/m0/s1
InChIKeyXYMNPLCXJLBJGU-ZETCQYMHSA-N
MW334.36 g/mol
LogP1.07
Rot. Bonds4

About ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 51894262) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID51894262
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Nameethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(=O)[nH]n3)nc21
InChIInChI=1S/C14H14N4O4S/c1-2-22-13(21)7-3-5-9-11(7)15-14(23-9)16-12(20)8-4-6-10(19)18-17-8/h4,6-7H,2-3,5H2,1H3,(H,18,19)(H,15,16,20)/t7-/m0/s1
InChIKeyXYMNPLCXJLBJGU-ZETCQYMHSA-N
XLogP1.07
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 121084077
ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51868465
ethyl 2-[(5-oxo-1,4-thiazepane-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 71798094
ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 121025946
ethyl 2-(prop-2-enoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 166419365
ethyl 2-[(5-oxopyrrolidin-3-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 106198164
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 90532370
ethyl 2-(cyclopropylsulfonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 138673799
ethyl 2-[[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 121027673
ethyl 2-(2-methoxyethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 113395648
ethyl 2-(1-methylsulfanylpropan-2-ylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113473116
ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 107587125

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 51894262) is ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(=O)[nH]n3)nc21.
What is the InChIKey of ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is XYMNPLCXJLBJGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-2-22-13(21)7-3-5-9-11(7)15-14(23-9)16-12(20)8-4-6-10(19)18-17-8/h4,6-7H,2-3,5H2,1H3,(H,18,19)(H,15,16,20)/t7-/m0/s1.
What are the key properties of ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 334.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 51894262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).