N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide

C14H13FN2O2S — CID 47121377

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide
SMILESCC(=O)c1csc(NC(=O)CCc2ccccc2F)n1
InChIInChI=1S/C14H13FN2O2S/c1-9(18)12-8-20-14(16-12)17-13(19)7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,17,19)
InChIKeyGTIRGCBOLHHQMN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.06
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide (PubChem CID 47121377) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide
PubChem CID47121377
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide
SMILESCC(=O)c1csc(NC(=O)CCc2ccccc2F)n1
InChIInChI=1S/C14H13FN2O2S/c1-9(18)12-8-20-14(16-12)17-13(19)7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,17,19)
InChIKeyGTIRGCBOLHHQMN-UHFFFAOYSA-N
XLogP3.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17444833
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583002
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2114071
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 2091152
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide (CID 47121377) is N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide is CC(=O)c1csc(NC(=O)CCc2ccccc2F)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide?
The InChIKey is GTIRGCBOLHHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-9(18)12-8-20-14(16-12)17-13(19)7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,17,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide has a molecular weight of 292.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 47121377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).