N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide

C10H7Cl2N3OS — CID 7293435

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

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

N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 7293435) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID7293435
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC NameN-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3OS/c1-5-9(17-15-14-5)10(16)13-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H,13,16)
InChIKeyWCYMCGFMRGJWBX-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

N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
CID 174391939
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiadiazole-5-carboxamide
CID 43952417
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide (CID 7293435) is N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is WCYMCGFMRGJWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c1-5-9(17-15-14-5)10(16)13-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H,13,16).
What are the key properties of N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide?
N-(3,4-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-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7293435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).