N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

C15H10ClFN4OS — CID 11291008

IUPACN-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)nc2)s1)c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN4OS/c16-12-6-1-9(8-18-12)7-13-20-21-15(23-13)19-14(22)10-2-4-11(17)5-3-10/h1-6,8H,7H2,(H,19,21,22)
InChIKeyDVHFBGQKVHGGCF-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.57
Rot. Bonds4

About N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide (PubChem CID 11291008) has the molecular formula C15H10ClFN4OS and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
PubChem CID11291008
Molecular FormulaC15H10ClFN4OS
Molecular Weight348.79 g/mol
Exact Mass348.02
IUPAC NameN-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)nc2)s1)c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN4OS/c16-12-6-1-9(8-18-12)7-13-20-21-15(23-13)19-14(22)10-2-4-11(17)5-3-10/h1-6,8H,7H2,(H,19,21,22)
InChIKeyDVHFBGQKVHGGCF-UHFFFAOYSA-N
XLogP3.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
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)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 23966087
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
4-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319861
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(propanoylamino)benzamide
CID 17257371
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide (CID 11291008) is N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide is O=C(Nc1nnc(Cc2ccc(Cl)nc2)s1)c1ccc(F)cc1.
What is the InChIKey of N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide?
The InChIKey is DVHFBGQKVHGGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4OS/c16-12-6-1-9(8-18-12)7-13-20-21-15(23-13)19-14(22)10-2-4-11(17)5-3-10/h1-6,8H,7H2,(H,19,21,22).
What are the key properties of N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide?
N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide has a molecular weight of 348.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 11291008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).