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

C13H13FN2OS — CID 110717379

IUPAC3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCc1cscn1
InChIInChI=1S/C13H13FN2OS/c14-11-3-1-2-10(6-11)4-5-13(17)15-7-12-8-18-9-16-12/h1-3,6,8-9H,4-5,7H2,(H,15,17)
InChIKeyPYOJBAXUBHDMFR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.53
Rot. Bonds5

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

3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 110717379) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID110717379
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCc1cscn1
InChIInChI=1S/C13H13FN2OS/c14-11-3-1-2-10(6-11)4-5-13(17)15-7-12-8-18-9-16-12/h1-3,6,8-9H,4-5,7H2,(H,15,17)
InChIKeyPYOJBAXUBHDMFR-UHFFFAOYSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60697544
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
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N-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24550705
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
CID 87043554
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
2-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345906
4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63831533
3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122561459
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
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N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 110679397

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 110717379) is 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide is O=C(CCc1cccc(F)c1)NCc1cscn1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is PYOJBAXUBHDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c14-11-3-1-2-10(6-11)4-5-13(17)15-7-12-8-18-9-16-12/h1-3,6,8-9H,4-5,7H2,(H,15,17).
What are the key properties of 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 110717379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).