4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide

C17H20FN3OS — CID 90645009

IUPAC4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1NCc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c18-13-7-5-12(6-8-13)17(22)21-15-4-2-1-3-14(15)20-11-16-19-9-10-23-16/h5-10,14-15,20H,1-4,11H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyCWLAELWPWAVGPD-LSDHHAIUSA-N
MW333.43 g/mol
LogP3.11
Rot. Bonds5

About 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide

4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide (PubChem CID 90645009) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide
PubChem CID90645009
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1NCc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c18-13-7-5-12(6-8-13)17(22)21-15-4-2-1-3-14(15)20-11-16-19-9-10-23-16/h5-10,14-15,20H,1-4,11H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyCWLAELWPWAVGPD-LSDHHAIUSA-N
XLogP3.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide (CID 90645009) is 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide is O=C(N[C@@H]1CCCC[C@@H]1NCc1nccs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide?
The InChIKey is CWLAELWPWAVGPD-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H20FN3OS/c18-13-7-5-12(6-8-13)17(22)21-15-4-2-1-3-14(15)20-11-16-19-9-10-23-16/h5-10,14-15,20H,1-4,11H2,(H,21,22)/t14-,15+/m0/s1.
What are the key properties of 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide?
4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide has a molecular weight of 333.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide is sourced from PubChem (CID 90645009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).