4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide

C14H14FN3O2S — CID 60573098

IUPAC4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1)Nc1nccs1
InChIInChI=1S/C14H14FN3O2S/c15-11-5-3-10(4-6-11)13(20)16-7-1-2-12(19)18-14-17-8-9-21-14/h3-6,8-9H,1-2,7H2,(H,16,20)(H,17,18,19)
InChIKeyKECFYQFWNMEILP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.43
Rot. Bonds6

About 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide

4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide (PubChem CID 60573098) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
PubChem CID60573098
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1)Nc1nccs1
InChIInChI=1S/C14H14FN3O2S/c15-11-5-3-10(4-6-11)13(20)16-7-1-2-12(19)18-14-17-8-9-21-14/h3-6,8-9H,1-2,7H2,(H,16,20)(H,17,18,19)
InChIKeyKECFYQFWNMEILP-UHFFFAOYSA-N
XLogP2.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)hexanamide
CID 24963142
N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide
CID 42581704
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47334895
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30276571
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
4-fluoro-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 4235054
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
N-[4-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 56553027

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide (CID 60573098) is 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nccs1.
What is the InChIKey of 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide?
The InChIKey is KECFYQFWNMEILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-11-5-3-10(4-6-11)13(20)16-7-1-2-12(19)18-14-17-8-9-21-14/h3-6,8-9H,1-2,7H2,(H,16,20)(H,17,18,19).
What are the key properties of 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide?
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide is sourced from PubChem (CID 60573098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).