2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide

C15H17FN2O2S — CID 110907848

IUPAC2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cc1csc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O2S/c1-10(19)8-17-14(20)7-13-9-21-15(18-13)6-11-2-4-12(16)5-3-11/h2-5,9-10,19H,6-8H2,1H3,(H,17,20)
InChIKeyGCMODHQGYLKMIQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.91
Rot. Bonds6

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

2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide (PubChem CID 110907848) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
PubChem CID110907848
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cc1csc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O2S/c1-10(19)8-17-14(20)7-13-9-21-15(18-13)6-11-2-4-12(16)5-3-11/h2-5,9-10,19H,6-8H2,1H3,(H,17,20)
InChIKeyGCMODHQGYLKMIQ-UHFFFAOYSA-N
XLogP1.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119501988
(2R)-2-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119368491
methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 48673152
N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119523102
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16899801
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111110968
(3S)-3-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 97337275
N-(3-aminobutyl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119497113
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451715
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119392498
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 82547973

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide (CID 110907848) is 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)Cc1csc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide?
The InChIKey is GCMODHQGYLKMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10(19)8-17-14(20)7-13-9-21-15(18-13)6-11-2-4-12(16)5-3-11/h2-5,9-10,19H,6-8H2,1H3,(H,17,20).
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide?
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 110907848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).