N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide

C13H10ClFN4OS — CID 133271442

IUPACN-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide
SMILESN#Cc1c(Cl)nsc1NCCNC(=O)c1ccccc1F
InChIInChI=1S/C13H10ClFN4OS/c14-11-9(7-16)13(21-19-11)18-6-5-17-12(20)8-3-1-2-4-10(8)15/h1-4,18H,5-6H2,(H,17,20)
InChIKeyOXFNFCCZFWZTFH-UHFFFAOYSA-N
MW324.77 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide

N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide (PubChem CID 133271442) has the molecular formula C13H10ClFN4OS and a molecular weight of 324.77 g/mol. Its IUPAC name is N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide
PubChem CID133271442
Molecular FormulaC13H10ClFN4OS
Molecular Weight324.77 g/mol
Exact Mass324.02
IUPAC NameN-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide
SMILESN#Cc1c(Cl)nsc1NCCNC(=O)c1ccccc1F
InChIInChI=1S/C13H10ClFN4OS/c14-11-9(7-16)13(21-19-11)18-6-5-17-12(20)8-3-1-2-4-10(8)15/h1-4,18H,5-6H2,(H,17,20)
InChIKeyOXFNFCCZFWZTFH-UHFFFAOYSA-N
XLogP2.65
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]benzamide
CID 78899210
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-iodobenzamide
CID 55753853
3-chloro-5-[[(3S)-3-hydroxybutyl]amino]-1,2-thiazole-4-carbonitrile
CID 130646571
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 133441968
N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
CID 19433807
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 3156882
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
2-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298322

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide (CID 133271442) is N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide is N#Cc1c(Cl)nsc1NCCNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide?
The InChIKey is OXFNFCCZFWZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4OS/c14-11-9(7-16)13(21-19-11)18-6-5-17-12(20)8-3-1-2-4-10(8)15/h1-4,18H,5-6H2,(H,17,20).
What are the key properties of N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide?
N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide has a molecular weight of 324.77 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 133271442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).