N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide

C11H8ClFN4O2S — CID 2804629

IUPACN-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H2,14,15,18,19)
InChIKeyJTWOMRHHCDSHHR-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.60
Rot. Bonds2

About N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide

N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 2804629) has the molecular formula C11H8ClFN4O2S and a molecular weight of 314.73 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
PubChem CID2804629
Molecular FormulaC11H8ClFN4O2S
Molecular Weight314.73 g/mol
Exact Mass314.00
IUPAC NameN-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H2,14,15,18,19)
InChIKeyJTWOMRHHCDSHHR-UHFFFAOYSA-N
XLogP2.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide (CID 2804629) is N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is JTWOMRHHCDSHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H2,14,15,18,19).
What are the key properties of N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2804629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).