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

C10H7Cl2N3OS — CID 850862

IUPACN-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3OS/c1-5-9(17-15-14-5)10(16)13-8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyWVNCTFYFFUWZJO-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds2

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

N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 850862) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID850862
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC NameN-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3OS/c1-5-9(17-15-14-5)10(16)13-8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyWVNCTFYFFUWZJO-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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Related Compounds

Tiadinil
CID 2804318
N-(3-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 728524
N-[(3-chloro-4-fluoroanilino)-oxomethyl]-4-methyl-5-thiadiazolecarboxamide
CID 2804629
4-methyl-N-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 728526
N-(3-chloro-2-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850800
N-(2-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 658031
N-(4-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850802
N-(2,3-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850803
N-(2,4-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 1484240
N-(4-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 850832
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7293441
N-(2-fluorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850831

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide (CID 850862) is N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is WVNCTFYFFUWZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c1-5-9(17-15-14-5)10(16)13-8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,13,16).
What are the key properties of N-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
N-(2,5-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-(2,5-dichlorophenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 850862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).