N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide

C17H14FN3O2S — CID 71724918

IUPACN-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCNC(=O)c1nc2ccccc2s1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-12-5-3-4-11(10-12)15(22)19-8-9-20-16(23)17-21-13-6-1-2-7-14(13)24-17/h1-7,10H,8-9H2,(H,19,22)(H,20,23)
InChIKeyOYSBCTNHEIOVAF-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.60
Rot. Bonds5

About N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide

N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 71724918) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID71724918
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCNC(=O)c1nc2ccccc2s1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-12-5-3-4-11(10-12)15(22)19-8-9-20-16(23)17-21-13-6-1-2-7-14(13)24-17/h1-7,10H,8-9H2,(H,19,22)(H,20,23)
InChIKeyOYSBCTNHEIOVAF-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.60
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

6-fluoro-N-(3-hydroxypropyl)-1,3-benzothiazole-2-carboxamide
CID 110488556
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide
CID 112772428
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 30370261
N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 118657800
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 30370193
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(methanesulfonamido)benzamide
CID 37043981

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide (CID 71724918) is N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide is O=C(NCCNC(=O)c1nc2ccccc2s1)c1cccc(F)c1.
What is the InChIKey of N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is OYSBCTNHEIOVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-12-5-3-4-11(10-12)15(22)19-8-9-20-16(23)17-21-13-6-1-2-7-14(13)24-17/h1-7,10H,8-9H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide?
N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 71724918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).