3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

C19H23FN2OS — CID 118726205

IUPAC3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C19H23FN2OS/c20-16-8-4-7-15(11-16)12-17-13-21-19(24-17)22-18(23)10-9-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,21,22,23)
InChIKeyNIDADIJXABEQOQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.17
Rot. Bonds6

About 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 118726205) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID118726205
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C19H23FN2OS/c20-16-8-4-7-15(11-16)12-17-13-21-19(24-17)22-18(23)10-9-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,21,22,23)
InChIKeyNIDADIJXABEQOQ-UHFFFAOYSA-N
XLogP5.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 118726205) is 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is O=C(CCC1CCCCC1)Nc1ncc(Cc2cccc(F)c2)s1.
What is the InChIKey of 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is NIDADIJXABEQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c20-16-8-4-7-15(11-16)12-17-13-21-19(24-17)22-18(23)10-9-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,21,22,23).
What are the key properties of 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 118726205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).