N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide

C10H7Cl2N3OS — CID 1484240

IUPACN-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3OS/c1-5-9(17-15-14-5)10(16)13-8-3-2-6(11)4-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyUBXZPCDOLKKVLX-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds2

About N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide

N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 1484240) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID1484240
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC NameN-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3OS/c1-5-9(17-15-14-5)10(16)13-8-3-2-6(11)4-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyUBXZPCDOLKKVLX-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide (CID 1484240) is N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is UBXZPCDOLKKVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c1-5-9(17-15-14-5)10(16)13-8-3-2-6(11)4-7(8)12/h2-4H,1H3,(H,13,16).
What are the key properties of N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 288.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 1484240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).