1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide

C17H19FN4O3S — CID 118457423

IUPAC1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(NCC(=O)N2CCCC2C(N)=O)n1
InChIInChI=1S/C17H19FN4O3S/c1-25-14-5-4-10(18)7-11(14)12-9-26-17(21-12)20-8-15(23)22-6-2-3-13(22)16(19)24/h4-5,7,9,13H,2-3,6,8H2,1H3,(H2,19,24)(H,20,21)
InChIKeyUMUMZTKCJUHXCE-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.85
Rot. Bonds6

About 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide

1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 118457423) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID118457423
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(NCC(=O)N2CCCC2C(N)=O)n1
InChIInChI=1S/C17H19FN4O3S/c1-25-14-5-4-10(18)7-11(14)12-9-26-17(21-12)20-8-15(23)22-6-2-3-13(22)16(19)24/h4-5,7,9,13H,2-3,6,8H2,1H3,(H2,19,24)(H,20,21)
InChIKeyUMUMZTKCJUHXCE-UHFFFAOYSA-N
XLogP1.85
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide (CID 118457423) is 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide is COc1ccc(F)cc1-c1csc(NCC(=O)N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is UMUMZTKCJUHXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-25-14-5-4-10(18)7-11(14)12-9-26-17(21-12)20-8-15(23)22-6-2-3-13(22)16(19)24/h4-5,7,9,13H,2-3,6,8H2,1H3,(H2,19,24)(H,20,21).
What are the key properties of 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide?
1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118457423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).