4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide

C15H16FN3OS — CID 166339791

IUPAC4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCN(Cc2cncs2)C1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3OS/c16-12-3-1-11(2-4-12)15(20)18-13-5-6-19(8-13)9-14-7-17-10-21-14/h1-4,7,10,13H,5-6,8-9H2,(H,18,20)/t13-/m0/s1
InChIKeyIAUITKHNJDSCJH-ZDUSSCGKSA-N
MW305.38 g/mol
LogP2.29
Rot. Bonds4

About 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide

4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide (PubChem CID 166339791) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
PubChem CID166339791
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCN(Cc2cncs2)C1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3OS/c16-12-3-1-11(2-4-12)15(20)18-13-5-6-19(8-13)9-14-7-17-10-21-14/h1-4,7,10,13H,5-6,8-9H2,(H,18,20)/t13-/m0/s1
InChIKeyIAUITKHNJDSCJH-ZDUSSCGKSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide (CID 166339791) is 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCN(Cc2cncs2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide?
The InChIKey is IAUITKHNJDSCJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-12-3-1-11(2-4-12)15(20)18-13-5-6-19(8-13)9-14-7-17-10-21-14/h1-4,7,10,13H,5-6,8-9H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide?
4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide has a molecular weight of 305.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 166339791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).