N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide

C16H19FN2O2S — CID 167942186

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide
SMILESCOCCC(C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H19FN2O2S/c1-11(7-8-21-2)15(20)19-16-18-10-14(22-16)9-12-3-5-13(17)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,18,19,20)
InChIKeyWAMQBAYSOZOEGC-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.48
Rot. Bonds7

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide (PubChem CID 167942186) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide
PubChem CID167942186
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide
SMILESCOCCC(C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H19FN2O2S/c1-11(7-8-21-2)15(20)19-16-18-10-14(22-16)9-12-3-5-13(17)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,18,19,20)
InChIKeyWAMQBAYSOZOEGC-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 51592080
2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55597894
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836241
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 55438043
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 55384796
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 51202265
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyanilino)acetamide
CID 4915065
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120987384

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide (CID 167942186) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide is COCCC(C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide?
The InChIKey is WAMQBAYSOZOEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-11(7-8-21-2)15(20)19-16-18-10-14(22-16)9-12-3-5-13(17)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide has a molecular weight of 322.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide is sourced from PubChem (CID 167942186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).