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'}

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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).