N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide

C11H8Cl2N4O2S — CID 2804632

IUPACN-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2N4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-8-3-6(12)2-7(13)4-8/h2-4H,1H3,(H2,14,15,18,19)
InChIKeySUEHMNSDGIKIIX-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.12
Rot. Bonds2

About N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide

N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 2804632) has the molecular formula C11H8Cl2N4O2S and a molecular weight of 331.18 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
PubChem CID2804632
Molecular FormulaC11H8Cl2N4O2S
Molecular Weight331.18 g/mol
Exact Mass329.97
IUPAC NameN-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2N4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-8-3-6(12)2-7(13)4-8/h2-4H,1H3,(H2,14,15,18,19)
InChIKeySUEHMNSDGIKIIX-UHFFFAOYSA-N
XLogP3.12
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide (CID 2804632) is N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is SUEHMNSDGIKIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-8-3-6(12)2-7(13)4-8/h2-4H,1H3,(H2,14,15,18,19).
What are the key properties of N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 331.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2804632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).