3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide

C17H21FN2OS — CID 110415644

IUPAC3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H21FN2OS/c1-12(2)9-10-19-16(21)7-8-17-20-15(11-22-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)
InChIKeyQIUQTFNZXKRCPJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.04
Rot. Bonds7

About 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide

3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide (PubChem CID 110415644) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
PubChem CID110415644
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H21FN2OS/c1-12(2)9-10-19-16(21)7-8-17-20-15(11-22-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)
InChIKeyQIUQTFNZXKRCPJ-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidobutyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110609845
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631830
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649255
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110625112
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 86789142

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide (CID 110415644) is 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is QIUQTFNZXKRCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-12(2)9-10-19-16(21)7-8-17-20-15(11-22-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,21).
What are the key properties of 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide?
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 110415644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).