N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide

C9H5ClFN3OS — CID 143689845

IUPACN-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide
SMILESO=CNc1nnc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C9H5ClFN3OS/c10-5-1-2-6(7(11)3-5)8-13-14-9(16-8)12-4-15/h1-4H,(H,12,14,15)
InChIKeyRRMFUBXDDQGACX-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.57
Rot. Bonds3

About N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide

N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide (PubChem CID 143689845) has the molecular formula C9H5ClFN3OS and a molecular weight of 257.68 g/mol. Its IUPAC name is N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide
PubChem CID143689845
Molecular FormulaC9H5ClFN3OS
Molecular Weight257.68 g/mol
Exact Mass256.98
IUPAC NameN-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide
SMILESO=CNc1nnc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C9H5ClFN3OS/c10-5-1-2-6(7(11)3-5)8-13-14-9(16-8)12-4-15/h1-4H,(H,12,14,15)
InChIKeyRRMFUBXDDQGACX-UHFFFAOYSA-N
XLogP2.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide?
The IUPAC name of N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide (CID 143689845) is N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide.
What is the SMILES notation for N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide?
The canonical SMILES for N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide is O=CNc1nnc(-c2ccc(Cl)cc2F)s1.
What is the InChIKey of N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide?
The InChIKey is RRMFUBXDDQGACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3OS/c10-5-1-2-6(7(11)3-5)8-13-14-9(16-8)12-4-15/h1-4H,(H,12,14,15).
What are the key properties of N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide?
N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide has a molecular weight of 257.68 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]formamide is sourced from PubChem (CID 143689845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).