1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide

C19H19FN4O3S — CID 154669755

IUPAC1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
SMILESCCn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(OCF)c3)cs2)c1
InChIInChI=1S/C19H19FN4O3S/c1-2-24-7-6-14(10-24)18(26)21-9-17(25)23-19-22-16(11-28-19)13-4-3-5-15(8-13)27-12-20/h3-8,10-11H,2,9,12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyLRQHOPZTAWGFOC-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.31
Rot. Bonds8

About 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide

1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide (PubChem CID 154669755) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
PubChem CID154669755
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
SMILESCCn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(OCF)c3)cs2)c1
InChIInChI=1S/C19H19FN4O3S/c1-2-24-7-6-14(10-24)18(26)21-9-17(25)23-19-22-16(11-28-19)13-4-3-5-15(8-13)27-12-20/h3-8,10-11H,2,9,12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyLRQHOPZTAWGFOC-UHFFFAOYSA-N
XLogP3.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide (CID 154669755) is 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide is CCn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(OCF)c3)cs2)c1.
What is the InChIKey of 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide?
The InChIKey is LRQHOPZTAWGFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-2-24-7-6-14(10-24)18(26)21-9-17(25)23-19-22-16(11-28-19)13-4-3-5-15(8-13)27-12-20/h3-8,10-11H,2,9,12H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide?
1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[[4-[3-(fluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 154669755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).