N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide

C14H13ClFN3OS — CID 25190400

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1snnc1C1CCC1
InChIInChI=1S/C14H13ClFN3OS/c15-10-5-2-6-11(16)9(10)7-17-14(20)13-12(18-19-21-13)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,17,20)
InChIKeyHCJREEJFQZAZKX-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.53
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide (PubChem CID 25190400) has the molecular formula C14H13ClFN3OS and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide
PubChem CID25190400
Molecular FormulaC14H13ClFN3OS
Molecular Weight325.80 g/mol
Exact Mass325.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1snnc1C1CCC1
InChIInChI=1S/C14H13ClFN3OS/c15-10-5-2-6-11(16)9(10)7-17-14(20)13-12(18-19-21-13)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,17,20)
InChIKeyHCJREEJFQZAZKX-UHFFFAOYSA-N
XLogP3.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide (CID 25190400) is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide is O=C(NCc1c(F)cccc1Cl)c1snnc1C1CCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide?
The InChIKey is HCJREEJFQZAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3OS/c15-10-5-2-6-11(16)9(10)7-17-14(20)13-12(18-19-21-13)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,17,20).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclobutylthiadiazole-5-carboxamide is sourced from PubChem (CID 25190400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).