ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate

C19H22FN3O5S — CID 171350116

IUPACethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCF
InChIInChI=1S/C19H22FN3O5S/c1-2-27-19(25)15-17(28-10-9-26-8-6-20)23-18(29-15)13-5-7-21-14(11-13)22-16(24)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,21,22,24)
InChIKeyJFUWYYHZWKPKEN-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.10
Rot. Bonds11

About ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate

ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate (PubChem CID 171350116) has the molecular formula C19H22FN3O5S and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate
PubChem CID171350116
Molecular FormulaC19H22FN3O5S
Molecular Weight423.47 g/mol
Exact Mass423.13
IUPAC Nameethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCF
InChIInChI=1S/C19H22FN3O5S/c1-2-27-19(25)15-17(28-10-9-26-8-6-20)23-18(29-15)13-5-7-21-14(11-13)22-16(24)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,21,22,24)
InChIKeyJFUWYYHZWKPKEN-UHFFFAOYSA-N
XLogP3.10
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide
CID 171350307
N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[4-[4-ethoxy-5-(N'-methanimidoylcarbamimidoyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2-methylbenzamide
CID 91223847
ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
CID 154690926
ethyl 4-methyl-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]-1,3-thiazole-5-carboxylate
CID 175364883
N-[4-(5-cyclopropyl-2-methyl-1H-imidazol-4-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 155562118
1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid
CID 155288407
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate
CID 42883070
4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]benzoic acid
CID 15952013
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate (CID 171350116) is ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCOCCF.
What is the InChIKey of ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate?
The InChIKey is JFUWYYHZWKPKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S/c1-2-27-19(25)15-17(28-10-9-26-8-6-20)23-18(29-15)13-5-7-21-14(11-13)22-16(24)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,21,22,24).
What are the key properties of ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate?
ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 171350116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).