2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

C16H17FN2OS — CID 110353862

IUPAC2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(NCCc1cscn1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H17FN2OS/c17-13-5-3-12(4-6-13)15(11-1-2-11)16(20)18-8-7-14-9-21-10-19-14/h3-6,9-11,15H,1-2,7-8H2,(H,18,20)
InChIKeyWHYAZYKHIKBKCV-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.13
Rot. Bonds6

About 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 110353862) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID110353862
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(NCCc1cscn1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H17FN2OS/c17-13-5-3-12(4-6-13)15(11-1-2-11)16(20)18-8-7-14-9-21-10-19-14/h3-6,9-11,15H,1-2,7-8H2,(H,18,20)
InChIKeyWHYAZYKHIKBKCV-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110354299
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
2-(4-fluorophenyl)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305024
5-fluoro-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 63825763
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63826114
1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75429969
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629945
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305047
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 110353862) is 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is O=C(NCCc1cscn1)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is WHYAZYKHIKBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c17-13-5-3-12(4-6-13)15(11-1-2-11)16(20)18-8-7-14-9-21-10-19-14/h3-6,9-11,15H,1-2,7-8H2,(H,18,20).
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110353862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).