N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide

C16H13FN2OS — CID 17474302

IUPACN-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2OS/c1-10(11-2-5-13(17)6-3-11)19-16(20)12-4-7-14-15(8-12)21-9-18-14/h2-10H,1H3,(H,19,20)
InChIKeyQVMTZGMBBNAOJM-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.93
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide

N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 17474302) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID17474302
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2OS/c1-10(11-2-5-13(17)6-3-11)19-16(20)12-4-7-14-15(8-12)21-9-18-14/h2-10H,1H3,(H,19,20)
InChIKeyQVMTZGMBBNAOJM-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
CID 4571608
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 112759028
3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103782331
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 61245318
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[1-(4-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78948691
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-bromo-3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 118662968

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide (CID 17474302) is N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide is CC(NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is QVMTZGMBBNAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10(11-2-5-13(17)6-3-11)19-16(20)12-4-7-14-15(8-12)21-9-18-14/h2-10H,1H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 17474302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).