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

C13H13FN2OS — CID 704241

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H13FN2OS/c1-2-3-12(17)16-13-15-11(8-18-13)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyZPFLSPBYGZXWKJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.69
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 704241) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID704241
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H13FN2OS/c1-2-3-12(17)16-13-15-11(8-18-13)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyZPFLSPBYGZXWKJ-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502620
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
CID 17412659
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[3-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 18899137
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide (CID 704241) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is ZPFLSPBYGZXWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-2-3-12(17)16-13-15-11(8-18-13)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 264.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 704241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).