N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

C16H11ClFN3OS2 — CID 23966087

IUPACN-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H11ClFN3OS2/c17-11-3-7-13(8-4-11)23-9-14-20-21-16(24-14)19-15(22)10-1-5-12(18)6-2-10/h1-8H,9H2,(H,19,21,22)
InChIKeyOTFSJVUAXDYFAE-UHFFFAOYSA-N
MW379.87 g/mol
LogP4.88
Rot. Bonds5

About N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide (PubChem CID 23966087) has the molecular formula C16H11ClFN3OS2 and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
PubChem CID23966087
Molecular FormulaC16H11ClFN3OS2
Molecular Weight379.87 g/mol
Exact Mass379.00
IUPAC NameN-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H11ClFN3OS2/c17-11-3-7-13(8-4-11)23-9-14-20-21-16(24-14)19-15(22)10-1-5-12(18)6-2-10/h1-8H,9H2,(H,19,21,22)
InChIKeyOTFSJVUAXDYFAE-UHFFFAOYSA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzamido-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153411
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 2258431
4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide
CID 7370765
N-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 44616120
N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 11291008
4-chloro-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3349021
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
1-(4-chlorobenzoyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17119367
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4639958
4-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2201164
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide (CID 23966087) is N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide is O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)c1ccc(F)cc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide?
The InChIKey is OTFSJVUAXDYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS2/c17-11-3-7-13(8-4-11)23-9-14-20-21-16(24-14)19-15(22)10-1-5-12(18)6-2-10/h1-8H,9H2,(H,19,21,22).
What are the key properties of N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide?
N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide has a molecular weight of 379.87 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 23966087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).