N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide

C13H9ClFN3O2S — CID 25189552

IUPACN-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)c1snnc1C1CC1
InChIInChI=1S/C13H9ClFN3O2S/c14-7-2-1-3-8(15)9(7)12(19)16-13(20)11-10(6-4-5-6)17-18-21-11/h1-3,6H,4-5H2,(H,16,19,20)
InChIKeyQIUVIHVNZHYGSZ-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.78
Rot. Bonds3

About N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide

N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide (PubChem CID 25189552) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide
PubChem CID25189552
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC NameN-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)c1snnc1C1CC1
InChIInChI=1S/C13H9ClFN3O2S/c14-7-2-1-3-8(15)9(7)12(19)16-13(20)11-10(6-4-5-6)17-18-21-11/h1-3,6H,4-5H2,(H,16,19,20)
InChIKeyQIUVIHVNZHYGSZ-UHFFFAOYSA-N
XLogP2.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide (CID 25189552) is N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide is O=C(NC(=O)c1c(F)cccc1Cl)c1snnc1C1CC1.
What is the InChIKey of N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide?
The InChIKey is QIUVIHVNZHYGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-7-2-1-3-8(15)9(7)12(19)16-13(20)11-10(6-4-5-6)17-18-21-11/h1-3,6H,4-5H2,(H,16,19,20).
What are the key properties of N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide?
N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide has a molecular weight of 325.75 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide is sourced from PubChem (CID 25189552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).