N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide

C13H13FN2OS — CID 123981436

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide
SMILESCC(C)(NC=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2OS/c1-13(2,15-8-17)11-7-18-12(16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17)
InChIKeyBDFXTJOSOQXXAN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.93
Rot. Bonds4

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide (PubChem CID 123981436) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide
PubChem CID123981436
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide
SMILESCC(C)(NC=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2OS/c1-13(2,15-8-17)11-7-18-12(16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17)
InChIKeyBDFXTJOSOQXXAN-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]-1-azabicyclo[2.2.2]octan-3-amine;formic acid
CID 161434576
4-propyloctan-3-yl N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate
CID 123318384
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 116889375
CID 165402539
CID 165402539
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
2-oxo-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde
CID 146422842
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylpropanoate
CID 43726131

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide (CID 123981436) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide is CC(C)(NC=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide?
The InChIKey is BDFXTJOSOQXXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-13(2,15-8-17)11-7-18-12(16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide has a molecular weight of 264.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]formamide is sourced from PubChem (CID 123981436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).