N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide

C17H20FN3O2S — CID 88892858

IUPACN-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C17H20FN3O2S/c1-11(2)15(22)20-17-19-14(12-3-5-13(18)6-4-12)16(24-17)21-7-9-23-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyBGKINXGAOQFCRW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.38
Rot. Bonds4

About N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 88892858) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID88892858
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C17H20FN3O2S/c1-11(2)15(22)20-17-19-14(12-3-5-13(18)6-4-12)16(24-17)21-7-9-23-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyBGKINXGAOQFCRW-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide (CID 88892858) is N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is BGKINXGAOQFCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-11(2)15(22)20-17-19-14(12-3-5-13(18)6-4-12)16(24-17)21-7-9-23-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 88892858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).