N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide

C16H11ClFN3OS — CID 18075087

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H11ClFN3OS/c17-13-9-11(18)6-7-12(13)15(22)19-16-21-20-14(23-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,21,22)
InChIKeyMNAXOQGSQNSTPD-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.17
Rot. Bonds4

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide (PubChem CID 18075087) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
PubChem CID18075087
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H11ClFN3OS/c17-13-9-11(18)6-7-12(13)15(22)19-16-21-20-14(23-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,21,22)
InChIKeyMNAXOQGSQNSTPD-UHFFFAOYSA-N
XLogP4.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 16547328
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-iodobenzamide
CID 38903577
2-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1095334
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 19172987
2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6469162
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
(E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 7943906
N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 41251909
1-benzyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 86896891

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide (CID 18075087) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide?
The InChIKey is MNAXOQGSQNSTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c17-13-9-11(18)6-7-12(13)15(22)19-16-21-20-14(23-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,21,22).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide has a molecular weight of 347.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 18075087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).