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

C12H11FN2OS — CID 110679486

IUPACN-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1cscn1)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/c13-9-1-3-10(4-2-9)15-12(16)6-5-11-7-17-8-14-11/h1-4,7-8H,5-6H2,(H,15,16)
InChIKeyLOHFYJJBEHCMQF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.85
Rot. Bonds4

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

N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 110679486) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID110679486
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1cscn1)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/c13-9-1-3-10(4-2-9)15-12(16)6-5-11-7-17-8-14-11/h1-4,7-8H,5-6H2,(H,15,16)
InChIKeyLOHFYJJBEHCMQF-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide
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N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679477
N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
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N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
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N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
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2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
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N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole
CID 142639749
4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide (CID 110679486) is N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide is O=C(CCc1cscn1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is LOHFYJJBEHCMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-9-1-3-10(4-2-9)15-12(16)6-5-11-7-17-8-14-11/h1-4,7-8H,5-6H2,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide?
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110679486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).