2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone

C15H16FN3OS — CID 27377825

IUPAC2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCCC1
InChIInChI=1S/C15H16FN3OS/c16-11-3-5-12(6-4-11)17-15-18-13(10-21-15)9-14(20)19-7-1-2-8-19/h3-6,10H,1-2,7-9H2,(H,17,18)
InChIKeyUDGCKBRMWWESQD-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 27377825) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID27377825
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCCC1
InChIInChI=1S/C15H16FN3OS/c16-11-3-5-12(6-4-11)17-15-18-13(10-21-15)9-14(20)19-7-1-2-8-19/h3-6,10H,1-2,7-9H2,(H,17,18)
InChIKeyUDGCKBRMWWESQD-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone (CID 27377825) is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone is O=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCCC1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is UDGCKBRMWWESQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-11-3-5-12(6-4-11)17-15-18-13(10-21-15)9-14(20)19-7-1-2-8-19/h3-6,10H,1-2,7-9H2,(H,17,18).
What are the key properties of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone?
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 305.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 27377825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).