N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide

C13H14FN3OS — CID 123404615

IUPACN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide
SMILESNc1ncc(CNC(=O)CCc2ccc(F)cc2)s1
InChIInChI=1S/C13H14FN3OS/c14-10-4-1-9(2-5-10)3-6-12(18)16-7-11-8-17-13(15)19-11/h1-2,4-5,8H,3,6-7H2,(H2,15,17)(H,16,18)
InChIKeyOTRGPPJNXBVUAU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.11
Rot. Bonds5

About N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide

N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 123404615) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide
PubChem CID123404615
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide
SMILESNc1ncc(CNC(=O)CCc2ccc(F)cc2)s1
InChIInChI=1S/C13H14FN3OS/c14-10-4-1-9(2-5-10)3-6-12(18)16-7-11-8-17-13(15)19-11/h1-2,4-5,8H,3,6-7H2,(H2,15,17)(H,16,18)
InChIKeyOTRGPPJNXBVUAU-UHFFFAOYSA-N
XLogP2.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 123670080
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
3-(4-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47729327
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110739127
3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide
CID 110733799
3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368624
3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 29278184
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 29306500
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide (CID 123404615) is N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide is Nc1ncc(CNC(=O)CCc2ccc(F)cc2)s1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is OTRGPPJNXBVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c14-10-4-1-9(2-5-10)3-6-12(18)16-7-11-8-17-13(15)19-11/h1-2,4-5,8H,3,6-7H2,(H2,15,17)(H,16,18).
What are the key properties of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide?
N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 123404615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).