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

C20H20N4O3S — CID 121084077

IUPACethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(NC(=O)c3cc(-c4ccccc4)nn3C)nc21
InChIInChI=1S/C20H20N4O3S/c1-3-27-19(26)13-9-10-16-17(13)21-20(28-16)22-18(25)15-11-14(23-24(15)2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,21,22,25)
InChIKeyPAQTXSGHLJPGAD-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.39
Rot. Bonds5

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

ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 121084077) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID121084077
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Nameethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(NC(=O)c3cc(-c4ccccc4)nn3C)nc21
InChIInChI=1S/C20H20N4O3S/c1-3-27-19(26)13-9-10-16-17(13)21-20(28-16)22-18(25)15-11-14(23-24(15)2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,21,22,25)
InChIKeyPAQTXSGHLJPGAD-UHFFFAOYSA-N
XLogP3.39
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51894262
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 N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527811
ethyl 2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 71785371
ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 95377054
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide
CID 90530891
ethyl (4R)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51896614
ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 90502721
2-benzamido-N-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947039
ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 107587125
ethyl 2-(cyclopropylsulfonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 138673799
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 121084077) is ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(NC(=O)c3cc(-c4ccccc4)nn3C)nc21.
What is the InChIKey of ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is PAQTXSGHLJPGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-27-19(26)13-9-10-16-17(13)21-20(28-16)22-18(25)15-11-14(23-24(15)2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,21,22,25).
What are the key properties of ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 121084077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).